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 71

ID	1024
Name	1-Demethylcolchicine
Pubchem ID	629842
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	385.41
Exact mass	385.152537
Molecular formula	C₂₁H₂₃NO₆
XlogP	0.7
Topological Polar Surface Area	94.1
H-Bond Donor	2
H-Bond Acceptor	6
Rotational Bond Count	4
IUPAC Name	N-(1-hydroxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)O)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 71

ID	1072
Name	Acetaminophen
Pubchem ID	1983
KEGG ID	D00217
Source	Derivative of acetanilide
Type	Unknown
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	151.16
Exact mass	151.063329
Molecular formula	C₈H₉NO₂
XlogP	0.5
Topological Polar Surface Area	49.3
H-Bond Donor	2
H-Bond Acceptor	2
Rotational Bond Count	1
IUPAC Name	N-(4-hydroxyphenyl)acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1=CC=C(C=C1)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 71

ID	1233
Name	Aspirin
Pubchem ID	2244
KEGG ID	D00109
Source	N/A
Type	Unknown
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	180.16
Exact mass	180.042259
Molecular formula	C₉H₈O₄
XlogP	1.2
Topological Polar Surface Area	63.6
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	3
IUPAC Name	2-acetyloxybenzoic acid
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)OC1=CC=CC=C1C(=O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 71

ID	1239
Name	Aspirin
Pubchem ID	23724834
KEGG ID	D02154
Source	N/A
Type	Unknown
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	1328.84
Exact mass	1327.48672
Molecular formula	C₇₁H₇₈ClN₃O₂₀
XlogP	N/A
Topological Polar Surface Area	315
H-Bond Donor	7
H-Bond Acceptor	23
Rotational Bond Count	8
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl
Isomeric SMILE	CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 5 of 71

ID	1733
Name	Cepharanthine
Pubchem ID	10206
KEGG ID	D01035
Source	Stephania cepharantha
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	606.71
Exact mass	606.272987
Molecular formula	C₃₇H₃₈N₂O₆
XlogP	6.5
Topological Polar Surface Area	61.9
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 6 of 71

ID	1734
Name	Cepharanthine
Pubchem ID	10206
KEGG ID	D01035
Source	Stephania erecta
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	606.71
Exact mass	606.272987
Molecular formula	C₃₇H₃₈N₂O₆
XlogP	6.5
Topological Polar Surface Area	61.9
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 71

ID	1735
Name	Cepharanthine
Pubchem ID	10206
KEGG ID	D01035
Source	Stephania sasakii
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	606.71
Exact mass	606.272987
Molecular formula	C₃₇H₃₈N₂O₆
XlogP	6.5
Topological Polar Surface Area	61.9
H-Bond Donor	0
H-Bond Acceptor	8
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 8 of 71

ID	1743
Name	Chondocurine
Pubchem ID	14947
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	594.70
Exact mass	594.272987
Molecular formula	C₃₆H₃₈N₂O₆
XlogP	6
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=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 9 of 71

ID	1864
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum autumnale
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 10 of 71

ID	1865
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum brachyphyllum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 11 of 71

ID	1866
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum megaphylla
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 12 of 71

ID	1867
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum speciosum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 13 of 71

ID	1868
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Colchicum turicum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 14 of 71

ID	1869
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Gloriosa superba
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 15 of 71

ID	1870
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera kurdica
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 16 of 71

ID	1871
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera manissadjianii
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 17 of 71

ID	1872
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera raddeana
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 18 of 71

ID	1873
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Merendera sobolifera
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 19 of 71

ID	1874
Name	Colchicine
Pubchem ID	6167
KEGG ID	D00570
Source	Sandersonia aurantica
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	399.44
Exact mass	399.168188
Molecular formula	C₂₂H₂₅NO₆
XlogP	1
Topological Polar Surface Area	83.1
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	5
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILE	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 20 of 71

ID	2030
Name	Dihydrosanguinarine
Pubchem ID	124069
KEGG ID	C05191
Source	Corydalis adunca
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	333.34
Exact mass	333.100108
Molecular formula	C₂₀H₁₅NO₄
XlogP	4.1
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 21 of 71

ID	2031
Name	Dihydrosanguinarine
Pubchem ID	124069
KEGG ID	C05191
Source	Corydalis gigantea
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	333.34
Exact mass	333.100108
Molecular formula	C₂₀H₁₅NO₄
XlogP	4.1
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 22 of 71

ID	2032
Name	Dihydrosanguinarine
Pubchem ID	124069
KEGG ID	C05191
Source	Corydalis ledebouriana
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	333.34
Exact mass	333.100108
Molecular formula	C₂₀H₁₅NO₄
XlogP	4.1
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 23 of 71

ID	2033
Name	Dihydrosanguinarine
Pubchem ID	124069
KEGG ID	C05191
Source	Eschscholzia californica
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	333.34
Exact mass	333.100108
Molecular formula	C₂₀H₁₅NO₄
XlogP	4.1
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 24 of 71

ID	2034
Name	Dihydrosanguinarine
Pubchem ID	124069
KEGG ID	C05191
Source	Fumaria parviflora
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	333.34
Exact mass	333.100108
Molecular formula	C₂₀H₁₅NO₄
XlogP	4.1
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 25 of 71

ID	2035
Name	Dihydrosanguinarine
Pubchem ID	124069
KEGG ID	C05191
Source	Fumaria vaillantii
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	333.34
Exact mass	333.100108
Molecular formula	C₂₀H₁₅NO₄
XlogP	4.1
Topological Polar Surface Area	40.2
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 26 of 71

ID	2162
Name	Fetidine
Pubchem ID	442233
KEGG ID	C09441
Source	Thalictrum foetidum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	682.80
Exact mass	682.325416
Molecular formula	C₄₀H₄₆N₂O₈
XlogP	6.3
Topological Polar Surface Area	91.3
H-Bond Donor	1
H-Bond Acceptor	10
Rotational Bond Count	10
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)CC6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=C(C=CC(=C5OC)OC)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)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. 27 of 71

ID	2175
Name	Fumaricine
Pubchem ID	442236
KEGG ID	C09444
Source	Fumaria agraria
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	369.41
Exact mass	369.157623
Molecular formula	C₂₁H₂₃NO₅
XlogP	2.3
Topological Polar Surface Area	60.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	(1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@@]13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)OC)OC
Drugpedia	wiki
References	1. Sousek,Phytochem.Anal.,10,(1999),6 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 28 of 71

ID	2176
Name	Fumaricine
Pubchem ID	442236
KEGG ID	C09444
Source	Fumaria capreolate
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	369.41
Exact mass	369.157623
Molecular formula	C₂₁H₂₃NO₅
XlogP	2.3
Topological Polar Surface Area	60.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	(1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@@]13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)OC)OC
Drugpedia	wiki
References	1. Sousek,Phytochem.Anal.,10,(1999),6 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 29 of 71

ID	2177
Name	Fumaricine
Pubchem ID	442236
KEGG ID	C09444
Source	Fumaria densiflora
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	369.41
Exact mass	369.157623
Molecular formula	C₂₁H₂₃NO₅
XlogP	2.3
Topological Polar Surface Area	60.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	(1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@@]13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)OC)OC
Drugpedia	wiki
References	1. Sousek,Phytochem.Anal.,10,(1999),6 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 30 of 71

ID	2178
Name	Fumaricine
Pubchem ID	442236
KEGG ID	C09444
Source	Fumaria muralis
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	369.41
Exact mass	369.157623
Molecular formula	C₂₁H₂₃NO₅
XlogP	2.3
Topological Polar Surface Area	60.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	(1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@@]13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)OC)OC
Drugpedia	wiki
References	1. Sousek,Phytochem.Anal.,10,(1999),6 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 31 of 71

ID	2179
Name	Fumaricine
Pubchem ID	442236
KEGG ID	C09444
Source	Fumaria officinalis
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	369.41
Exact mass	369.157623
Molecular formula	C₂₁H₂₃NO₅
XlogP	2.3
Topological Polar Surface Area	60.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	(1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@@]13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)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. 32 of 71

ID	2180
Name	Fumaricine
Pubchem ID	442236
KEGG ID	C09444
Source	Fumaria vaillantii
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	369.41
Exact mass	369.157623
Molecular formula	C₂₁H₂₃NO₅
XlogP	2.3
Topological Polar Surface Area	60.4
H-Bond Donor	1
H-Bond Acceptor	6
Rotational Bond Count	2
IUPAC Name	(1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C=C2C13CC4=C(C3O)C5=C(C=C4)OCO5)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C=C2[C@@]13CC4=C([C@@H]3O)C5=C(C=C4)OCO5)OC)OC
Drugpedia	wiki
References	1. Sousek,Phytochem.Anal.,10,(1999),6 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 33 of 71

ID	2268
Name	Hernandezine
Pubchem ID	72343
KEGG ID	C09461
Source	Thalictrum glandulosissimum
Type	Natural
Function	Anti-inflammatory
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(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 34 of 71

ID	2269
Name	Hernandezine
Pubchem ID	72343
KEGG ID	C09461
Source	Stephania hernandifolia
Type	Natural
Function	Anti-inflammatory
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(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)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. 35 of 71

ID	2270
Name	Hernandezine
Pubchem ID	72343
KEGG ID	C09461
Source	Thalictrum simplex
Type	Natural
Function	Anti-inflammatory
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(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)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. 36 of 71

ID	2463
Name	Isothebaine
Pubchem ID	11281
KEGG ID	C09550
Source	Papaver bracteatum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.6
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC
Drugpedia	wiki
References	1. Sariyar,Planta Med.,58,(1992),368 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 37 of 71

ID	2464
Name	Isothebaine
Pubchem ID	11281
KEGG ID	C09550
Source	Papaver macrantha
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.6
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC
Drugpedia	wiki
References	1. Novak,Sb.Vys.Zemed.Praze Fak.Agron.Rada A-C,53,(1991),11 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 38 of 71

ID	2465
Name	Isothebaine
Pubchem ID	11281
KEGG ID	C09550
Source	Papaver orientale
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.6
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)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. 39 of 71

ID	2466
Name	Isothebaine
Pubchem ID	11281
KEGG ID	C09550
Source	Papaver pseudo-orientale
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	311.37
Exact mass	311.152144
Molecular formula	C₁₉H₂₁NO₃
XlogP	2.6
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)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. 40 of 71

ID	2873
Name	Oxoglaucine
Pubchem ID	97662
KEGG ID	N/A
Source	Annona purpurea
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	351.35
Exact mass	351.110673
Molecular formula	C₂₀H₁₇NO₅
XlogP	3.5
Topological Polar Surface Area	66.9
H-Bond Donor	0
H-Bond Acceptor	6
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 41 of 71

ID	3130
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Bocconia frutescens
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Abizov,Khim.-Farm.Zh.,37,(2003),350 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 42 of 71

ID	3131
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Chelidonium majus
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 43 of 71

ID	3132
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Coptis japonica
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Yoneda,Shoyakugaku Zasshi,44,(1990),196 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 44 of 71

ID	3133
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicentra peregrina
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 45 of 71

ID	3134
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicentra spectabilis
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 46 of 71

ID	3135
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Dicranostigma lactucoides
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Dostal,Fitoterapia,63,(1992),67 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 47 of 71

ID	3136
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Eschscholtzia california
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Jain,Planta Med.,52,(1996),188 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 48 of 71

ID	3137
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Fumaria officinalis
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 49 of 71

ID	3138
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Glaucium flavum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Kintsurashvili,Chem.Nat.Compd.,35,(2000),225 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 50 of 71

ID	3139
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Macleaya cordata
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Tolkachev,Pharm.Chem.J.,33,(1999),86 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 51 of 71

ID	3140
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Macleaya microcarpa
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Abizov,Khim.-Farm.Zh.,37,(2003),350 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 52 of 71

ID	3141
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Papaver somniferum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
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 71

ID	3142
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Sanguinaria canadensis
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records

Record No. 54 of 71

ID	3143
Name	Sanguinarine
Pubchem ID	5154
KEGG ID	C06162
Source	Stylophorum lasiocarpum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	332.33
Exact mass	332.092283
Molecular formula	C₂₀H₁₄NO₄+
XlogP	4.4
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	4
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
Isomeric SMILE	N/A
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. 55 of 71

ID	3192
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Argemone mexicana
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	367.78
Exact mass	367.061136
Molecular formula	C₂₀H₁₄ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 56 of 71

ID	3193
Name	Sanguinarine
Pubchem ID	68635
KEGG ID	D05799
Source	Sanguinaria
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	367.78
Exact mass	367.061136
Molecular formula	C₂₀H₁₄ClNO₄
XlogP	N/A
Topological Polar Surface Area	40.8
H-Bond Donor	0
H-Bond Acceptor	5
Rotational Bond Count	0
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-]
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 57 of 71

ID	3228
Name	Spasmofen
Pubchem ID	11980080
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	1801.74
Exact mass	1801.660796
Molecular formula	C₉₅H₁₁₂Cl₄N₅O₂₁+
XlogP	N/A
Topological Polar Surface Area	279
H-Bond Donor	8
H-Bond Acceptor	25
Rotational Bond Count	16
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl.Cl.Cl.Cl
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl.Cl.Cl.Cl
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 58 of 71

ID	3358
Name	Tetrahydropapaveroline
Pubchem ID	18519
KEGG ID	C06350
Source	N/A
Type	Unknown
Function	Anti-inflammatory
Drug Like Properties	Yes
Molecular Weight	287.31
Exact mass	287.115758
Molecular formula	C₁₆H₁₇NO₄
XlogP	1.9
Topological Polar Surface Area	93
H-Bond Donor	5
H-Bond Acceptor	5
Rotational Bond Count	2
IUPAC Name	1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 59 of 71

ID	3360
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Cissampelos pareira
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
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=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)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)OC)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. 60 of 71

ID	3361
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Cocculus pendulus
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
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=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)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)OC)OC)OC
Drugpedia	wiki
References	1. Al-Khalil,Planta Med.,59,(1993),276 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 61 of 71

ID	3362
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Cyclea barbata
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
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=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)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)OC)OC)OC
Drugpedia	wiki
References	1. Lin,J.Nat.Prod.,56,(1993),22 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 62 of 71

ID	3363
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Cyclea burmannii
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
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=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)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)OC)OC)OC
Drugpedia	wiki
References	1. Bandara,Planta Med.,56,(1990),245 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 63 of 71

ID	3364
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Cyclea peltata
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
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=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)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)OC)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. 64 of 71

ID	3365
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Pachygone dasycarpa
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
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=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)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)OC)OC)OC
Drugpedia	wiki
References	1. Guinaudeau,J.Nat.Prod.,60,(1997),258 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 65 of 71

ID	3366
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Stephania japonica
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
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=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)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)OC)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 66 of 71

ID	3367
Name	Tetrandrine
Pubchem ID	73078
KEGG ID	C09654
Source	Stephania tetrandra
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	622.75
Exact mass	622.304287
Molecular formula	C₃₈H₄₂N₂O₆
XlogP	6.4
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=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)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)OC)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. 67 of 71

ID	3408
Name	Thalmidine
Pubchem ID	100230
KEGG ID	C09590
Source	Berberis laurina
Type	Natural
Function	Anti-inflammatory
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	CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)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. 68 of 71

ID	3409
Name	Thalmidine
Pubchem ID	100230
KEGG ID	C09590
Source	Thalictrum foetidum
Type	Natural
Function	Anti-inflammatory
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	CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Drugpedia	wiki
References	1. Velcheva,Dokl.Bulg.Akad.Nauk.,44,(1991),33 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 69 of 71

ID	3410
Name	Thalmidine
Pubchem ID	100230
KEGG ID	C09590
Source	Thalictrum havum
Type	Natural
Function	Anti-inflammatory
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	CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)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 71

ID	3411
Name	Thalmidine
Pubchem ID	100230
KEGG ID	C09590
Source	Thalictrum minus
Type	Natural
Function	Anti-inflammatory
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	CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)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. 71 of 71

ID	3412
Name	Thalmine
Pubchem ID	442366
KEGG ID	C09659
Source	Thalictrum
Type	Natural
Function	Anti-inflammatory
Drug Like Properties	No
Molecular Weight	608.72
Exact mass	608.288637
Molecular formula	C₃₇H₄₀N₂O₆
XlogP	6.3
Topological Polar Surface Area	72.9
H-Bond Donor	1
H-Bond Acceptor	8
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC
Isomeric SMILE	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records