BIAdb: A Database for Benzylisoquinoline Alkaloids

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Citation: If you are using this server please cite:- Singla D, Sharma A, Kaur J, Panwar B, and Raghava GPS (2010): BIAdb: A curated database of benzylisoquinoline alkaloids. BMC Pharmacology 10:4.

Record No. 1 of 70

ID	1066
Name	7-O-isopropyl fangchinoline
Pubchem ID	195426
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	650.80
Exact mass	650.335587
Molecular formula	C₄₀H₄₆N₂O₆
XlogP	7.2
Topological Polar Surface Area	61.9
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(C)OC1=C(C=C2CCN(C3C2=C1OC4=C(C=C5CCN(C(C5=C4)CC6=CC=C(C=C6)OC7=C(C=CC(=C7)C3)OC)C)OC)C)OC
Isomeric SMILE	CC(C)OC1=C(C=C2CCN([C@@H]3C2=C1OC4=C(C=C5CCN([C@H](C5=C4)CC6=CC=C(C=C6)OC7=C(C=CC(=C7)C3)OC)C)OC)C)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 70

ID	1090
Name	Adiantifoline
Pubchem ID	167937
KEGG ID	C09323
Source	Thalictrum honanense
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	726.85
Exact mass	726.351631
Molecular formula	C₄₂H₅₀N₂O₉
XlogP	6.6
Topological Polar Surface Area	89.6
H-Bond Donor	0
H-Bond Acceptor	11
Rotational Bond Count	12
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C(C(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC
Drugpedia	wiki
References	1. Han,Zhongguo Zhongyao Zazhi,18,(1993),615 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 3 of 70

ID	1091
Name	Adiantifoline
Pubchem ID	167937
KEGG ID	C09323
Source	Thalictrum minus
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	726.85
Exact mass	726.351631
Molecular formula	C₄₂H₅₀N₂O₉
XlogP	6.6
Topological Polar Surface Area	89.6
H-Bond Donor	0
H-Bond Acceptor	11
Rotational Bond Count	12
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=C(C(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=C(C(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 70

ID	1159
Name	Ankorine
Pubchem ID	442166
KEGG ID	C09337
Source	Alangium kurzii
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	335.44
Exact mass	335.209658
Molecular formula	C₁₉H₂₉NO₄
XlogP	2.6
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-8-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=C(C(=C(C=C3C2CC1CCO)OC)OC)O
Isomeric SMILE	CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CCO)OC)OC)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 5 of 70

ID	1160
Name	Ankorine
Pubchem ID	442166
KEGG ID	C09337
Source	Alangium lamarckii
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	335.44
Exact mass	335.209658
Molecular formula	C₁₉H₂₉NO₄
XlogP	2.6
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	5
IUPAC Name	(2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-8-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCC1CN2CCC3=C(C(=C(C=C3C2CC1CCO)OC)OC)O
Isomeric SMILE	CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CCO)OC)OC)O
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 6 of 70

ID	1191
Name	(-)-Apoglaziovine
Pubchem ID	442167
KEGG ID	C09340
Source	Aniba canelilla
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	297.35
Exact mass	297.136493
Molecular formula	C₁₈H₁₉NO₃
XlogP	2.3
Topological Polar Surface Area	52.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C=C(C=C4)O)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C=C(C=C4)O)O)OC
Drugpedia	wiki
References	1. Oger,Can.J.Chem.,71,(1993),1128 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 7 of 70

ID	1192
Name	(-)-Apoglaziovine
Pubchem ID	442167
KEGG ID	C09340
Source	Annona glabra
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	297.35
Exact mass	297.136493
Molecular formula	C₁₈H₁₉NO₃
XlogP	2.3
Topological Polar Surface Area	52.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C=C(C=C4)O)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C=C(C=C4)O)O)OC
Drugpedia	wiki
References	1. Karanek,Pharmacol.Biochem.Behav.,66,(2000),653 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 8 of 70

ID	1193
Name	(-)-Apoglaziovine
Pubchem ID	442167
KEGG ID	C09340
Source	Nectandra membranacea
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	297.35
Exact mass	297.136493
Molecular formula	C₁₈H₁₉NO₃
XlogP	2.3
Topological Polar Surface Area	52.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C=C(C=C4)O)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C=C(C=C4)O)O)OC
Drugpedia	wiki
References	1. Castro,Fitoterapia,60,(1989),474 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 9 of 70

ID	1194
Name	(-)-Apoglaziovine
Pubchem ID	442167
KEGG ID	C09340
Source	Ocotea glaziovii
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	297.35
Exact mass	297.136493
Molecular formula	C₁₈H₁₉NO₃
XlogP	2.3
Topological Polar Surface Area	52.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C=C(C=C4)O)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C=C(C=C4)O)O)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 10 of 70

ID	1253
Name	(+)-Atherospermoline
Pubchem ID	177154
KEGG ID	C11141
Source	Atherosperma moschatum
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	5.7
Topological Polar Surface Area	83.9
H-Bond Donor	2
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 11 of 70

ID	2044
Name	Discretamine
Pubchem ID	22955
KEGG ID	C12326
Source	N/A
Type	Unknown
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	327.37
Exact mass	327.147058
Molecular formula	C₁₉H₂₁NO₄
XlogP	2.6
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 12 of 70

ID	2498
Name	Laurolitsine
Pubchem ID	22179
KEGG ID	N/A
Source	L. chunii
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	313.35
Exact mass	313.131408
Molecular formula	C₁₈H₁₉NO₄
XlogP	2.3
Topological Polar Surface Area	71
H-Bond Donor	3
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2CC3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
Isomeric SMILE	COC1=C(C=C2C[C@H]3C4=C(C2=C1)C(=C(C=C4CCN3)O)OC)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 13 of 70

ID	2576
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Aconitum callibotryon
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czechoslovak Chem.Commun.,60,(2008),1034 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 14 of 70

ID	2577
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Aconitum vulparia
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 15 of 70

ID	2578
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Actaea spicata
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 16 of 70

ID	2579
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Aristolochia clematitis
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Kostalova,Chem.Pap.,45,(1991),713 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 17 of 70

ID	2580
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Aristolochia elegans
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Ross,J.Nat.Prod.,67,(2004),88 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 18 of 70

ID	2581
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Aristolochia thunbergii
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 19 of 70

ID	2582
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Aristolochia triangularis
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Li.,J.Chin.Pharm.Sci.,6,(1997),8 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 20 of 70

ID	2583
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Asteropyrum cavaleriei
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Xu,Zhongguo Zhongyao Zazhi,25,(2000),486 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 21 of 70

ID	2584
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Berberis crataegina
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Telezhenetskaya,Khim.Prir.Soedin.,(1996),106 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 22 of 70

ID	2585
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Berberis iliensis
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),83 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 23 of 70

ID	2586
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Berberis integerrima
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),472 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 24 of 70

ID	2587
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Berberis numularis
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),472 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 25 of 70

ID	2588
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Berberis vulgaris
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Yusupov,Khim.Prir.Soedin.,(1993),44 3. Khamidov,Khim.Prir.Soedin.,(1995),503 4. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 5. Source 6. Function 7. All Records

Record No. 26 of 70

ID	2589
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Cissampelos pareira
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Ahmad,Fitoterapia,63,(1992),287 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 27 of 70

ID	2590
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Corydalis intermedia
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),2009 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 28 of 70

ID	2591
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Croton lechleri
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 29 of 70

ID	2592
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Diploclisia glaucescens
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Shah,Steroids,53,(1989),559 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 30 of 70

ID	2593
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Glaucium arabicum
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Al-Khalil,Dirasat.Univ.Jordan B.,17,(1990),185 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 31 of 70

ID	2594
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Litsea deccanensis
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Gupta,Planta Med.,55,(1989),197 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 32 of 70

ID	2595
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Magnolia accuminata
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Kapadia,Indian J.Pharm.Sci.,54,(1992),142 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 33 of 70

ID	2596
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Magnolia grandiflora
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 34 of 70

ID	2597
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Magnolia kobus
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 35 of 70

ID	2598
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Magnolia soulangeana
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 36 of 70

ID	2599
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Magnolia speciosa
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,60,(1995),1034 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 37 of 70

ID	2600
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Meconopsis cambrica
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,61,(1996),185 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 38 of 70

ID	2601
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Meconopsis robusta
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,61,(1996),185 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 39 of 70

ID	2602
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Papaver orientale
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1534 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 40 of 70

ID	2603
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Papaver rhoeas
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118 2. Kalv,Planta Med.,34,(1989),345 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 41 of 70

ID	2604
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Papaver setigerum
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 42 of 70

ID	2605
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Paraquilegia anemonoides
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Noriaki,Heterocycles,41,(1995),2043 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 43 of 70

ID	2606
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Ranunculus serbicus
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Bonara,Phyton Horn Australia,30,(1990),265 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 44 of 70

ID	2607
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Stephania cepharantha
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Tanahashi,Chem.Pharm.Bull.,48,(2000),370 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 45 of 70

ID	2608
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Stylophorum lasiocarpum
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,56,(1991),1116 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 46 of 70

ID	2609
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Thalictrum delavayi
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Gao,Phytochem.,29,(1990),1895 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 47 of 70

ID	2610
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Thalictrum foetidum
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Baser,Planta Med.,56,(1990),337 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 48 of 70

ID	2611
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Thalictrum minums
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Lou,Planta Med.,58,(1992),114 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 49 of 70

ID	2612
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Thalictrum minus
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,57,(1992),573 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 50 of 70

ID	2613
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Thalictrum przewalskii
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Al-Rehaily,J.Nat.Prod.,62,(1999),146 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 51 of 70

ID	2614
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Thalictrum thalictroides
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Hoard,Phytochem.,43,(1996),1129 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 52 of 70

ID	2615
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Thalictrum thunbergii
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 53 of 70

ID	2616
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Thalictrum wangii
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Shimoda,Heterocycles,55,(2001),2043 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 54 of 70

ID	2617
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Tinospora malabrica
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. El-Fishawy,Herb.Hung.,28,(1989),63 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 55 of 70

ID	2618
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Xylopia parviflora
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Nishiyama,Phytochem.,65,(2004),939 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 56 of 70

ID	2619
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Xylopia vieillardi
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Jossang,J.Nat.Prod.,54,(1991),466 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 57 of 70

ID	2620
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Zanthoxylum chalybeum
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Kato,J.Nat.Prod.,59,(1996),316 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 58 of 70

ID	2621
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Zanthoxylum nitidum
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Moriyasu,J.Nat.Prod.,60,(1997),299 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 59 of 70

ID	2622
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Zanthoxylum usambarensis
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 60 of 70

ID	2623
Name	Magnoflorine
Pubchem ID	73337
KEGG ID	C09581
Source	Mahonia aquifolium
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	342.41
Exact mass	342.170533
Molecular formula	C₂₀H₂₄NO₄+
XlogP	2.7
Topological Polar Surface Area	58.9
H-Bond Donor	2
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Isomeric SMILE	C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 61 of 70

ID	2743
Name	Nantenine
Pubchem ID	197001
KEGG ID	N/A
Source	Nandina domestica
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	339.39
Exact mass	339.147058
Molecular formula	C₂₀H₂₁NO₄
XlogP	3.2
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC5=C(C=C43)OCO5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC5=C(C=C43)OCO5)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 62 of 70

ID	2762
Name	Neferine
Pubchem ID	159654
KEGG ID	N/A
Source	Nelumbo nucifera
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	624.77
Exact mass	624.319937
Molecular formula	C₃₈H₄₄N₂O₆
XlogP	6.7
Topological Polar Surface Area	72.9
H-Bond Donor	1
H-Bond Acceptor	8
Rotational Bond Count	10
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 63 of 70

ID	2858
Name	O-Methyl thalicberine
Pubchem ID	320712
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.7
Topological Polar Surface Area	61.9
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 64 of 70

ID	3389
Name	Thalicminine
Pubchem ID	167534
KEGG ID	N/A
Source	Thalictrum isopyroides
Type	Natural
Function	Hypotensive
Drug Like Properties	Yes
Molecular Weight	365.34
Exact mass	365.089937
Molecular formula	C₂₀H₁₅NO₆
XlogP	3.3
Topological Polar Surface Area	76.1
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C=C2C(=C1)C3=C4C(=C(C5=C3C(=NC=C5)C2=O)OC)OCO4)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 65 of 70

ID	3399
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum dasycarpum
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 66 of 70

ID	3400
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum fargestii
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Wu,Zhongguo Yaoke Daxue Xuebao,23,(1991),177 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 67 of 70

ID	3401
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum flavum
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Velcheva,Acta Pharm.Nord.,4,(1992),57 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 68 of 70

ID	3402
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum foetidum
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Baser,Planta Med.,56,(1990),337 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 69 of 70

ID	3403
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum havum
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Duchevska,Acta Pharm.Nord.,1,(1989),363 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 70 of 70

ID	3404
Name	Thalidasine
Pubchem ID	159795
KEGG ID	C09656
Source	Thalictrum squarrosum
Type	Natural
Function	Hypotensive
Drug Like Properties	No
Molecular Weight	652.78
Exact mass	652.314852
Molecular formula	C₃₉H₄₄N₂O₇
XlogP	6.4
Topological Polar Surface Area	71.1
H-Bond Donor	0
H-Bond Acceptor	9
Rotational Bond Count	5
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Drugpedia	wiki
References	1. Zhou,Zhongcaoyao,21,(1990),397 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records