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 66

ID	1807
Name	Codeine
Pubchem ID	223652
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Sedative
Drug Like Properties	No
Molecular Weight	397.44
Exact mass	397.119523
Molecular formula	C₁₈H₂₃NO₇S
XlogP	N/A
Topological Polar Surface Area	117
H-Bond Donor	3
H-Bond Acceptor	8
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OS(=O)(=O)O
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 2 of 66

ID	1810
Name	Codeine
Pubchem ID	23724833
KEGG ID	D02101
Source	N/A
Type	Unknown
Function	Sedative
Drug Like Properties	No
Molecular Weight	844.82
Exact mass	844.331242
Molecular formula	C₃₈H₅₈N₂O₁₅P₂
XlogP	N/A
Topological Polar Surface Area	240
H-Bond Donor	9
H-Bond Acceptor	17
Rotational Bond Count	2
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	C.C.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O.OP(=O)(O)O.OP(=O)(O)O
Isomeric SMILE	C.C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)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.O.OP(=O)(O)O.OP(=O)(O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 3 of 66

ID	1813
Name	Codeine
Pubchem ID	24832059
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Sedative
Drug Like Properties	No
Molecular Weight	396.35
Exact mass	396.121214
Molecular formula	C₁₈H₂₃NO₇P-
XlogP	N/A
Topological Polar Surface Area	123
H-Bond Donor	3
H-Bond Acceptor	8
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)[O-]
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)[O-]
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 4 of 66

ID	1819
Name	Codeine
Pubchem ID	5284371
KEGG ID	C06174
Source	Papaver setigerum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	299.36
Exact mass	299.152144
Molecular formula	C₁₈H₂₁NO₃
XlogP	1.1
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
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. 5 of 66

ID	1820
Name	Codeine
Pubchem ID	5284371
KEGG ID	C06174
Source	Papaver somniferum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	299.36
Exact mass	299.152144
Molecular formula	C₁₈H₂₁NO₃
XlogP	1.1
Topological Polar Surface Area	41.9
H-Bond Donor	1
H-Bond Acceptor	4
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)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 66

ID	1822
Name	Codeine
Pubchem ID	5359227
KEGG ID	N/A
Source	N/A
Type	Unknown
Function	Sedative
Drug Like Properties	No
Molecular Weight	397.36
Exact mass	397.129039
Molecular formula	C₁₈H₂₄NO₇P
XlogP	N/A
Topological Polar Surface Area	120
H-Bond Donor	4
H-Bond Acceptor	8
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 7 of 66

ID	1825
Name	Codeine
Pubchem ID	5362471
KEGG ID	D00195
Source	N/A
Type	Unknown
Function	Sedative
Drug Like Properties	No
Molecular Weight	317.38
Exact mass	317.162708
Molecular formula	C₁₈H₂₃NO₄
XlogP	N/A
Topological Polar Surface Area	42.9
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O
Isomeric SMILE	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 8 of 66

ID	2154
Name	Etorphine
Pubchem ID	26721
KEGG ID	N/A
Source	Synthetic
Type	Unknown
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	411.53
Exact mass	411.240959
Molecular formula	C₂₅H₃₃NO₄
XlogP	3.1
Topological Polar Surface Area	62.2
H-Bond Donor	2
H-Bond Acceptor	5
Rotational Bond Count	4
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O
Isomeric SMILE	CCCC(C)(C1C[C@@]23C=CC1(C4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 9 of 66

ID	2354
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania kwangsiensis
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 10 of 66

ID	2355
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Annona cherimola
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Chen,J.Clin.Chem.Soc.(Taipei),44,(1997),313 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 11 of 66

ID	2356
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Annona glabra
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)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. 12 of 66

ID	2357
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Annona senegalensis
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. You,J.Nat.Prod.,58,(1995),598 2. Philipov,Fitoterapia,66,(1995),275 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 13 of 66

ID	2358
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Artabotrys suaveolens
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)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. 14 of 66

ID	2359
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Artabotrys uncinatus
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Hsieh,J.Nat.Prod.,64,(2001),1157 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 15 of 66

ID	2360
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Berberis densiflora
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Khamidov,Chem.Nat.,33,(1997),323 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 16 of 66

ID	2361
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Berberis heterobotrys
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Karimov,Khim.Prir.Soedin.,(1993),869 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 17 of 66

ID	2362
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Berberis oblonga
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Ituriaga-Vasquez,J.Nat.Prod.,66,(2003),954 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 18 of 66

ID	2363
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Berberis vulgaris
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
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. 19 of 66

ID	2364
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Corydalis cava
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)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. 20 of 66

ID	2365
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Corydalis lutea
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Yang,Phytochem.,33,(1993),943 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 21 of 66

ID	2366
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Corydalis ochroleuca
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Ribar,Bull.Acad.Serbe Sci.Arts.Cl.Sci.Math.Nat.Sci.Nat.,40,(2003),95 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 22 of 66

ID	2367
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Corydalis solida
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Ribar,Bull.Acad.Serbe Sci.Arts.Cl.Sci.Math.Nat.Sci.Nat.,40,(2003),95 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 23 of 66

ID	2368
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Croton hemiargyreus
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Lin,J.Chin.Pharm.Sci.,12,(2003),117 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 24 of 66

ID	2369
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Dactylocapnos torulosa
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Zhang,Yaoxue Xuebao,25,(1990),604 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 25 of 66

ID	2370
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Dehaasia incrassata
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Said,Planta Med.,57,(1991),389 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 26 of 66

ID	2371
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Dehaasia triandra
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Lu,Phytochem.,28,(1989),615 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 27 of 66

ID	2372
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Glaucium corniculatum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
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. 28 of 66

ID	2373
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Glaucium fimbrilligerum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Shafiee,J.Sci.Islamic Repub.Iran,8,(1997),42 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 29 of 66

ID	2374
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Glaucium flavum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
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. 30 of 66

ID	2375
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Guatteria oliviformis
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Lopez,Phytochem.,29,(1990),1899 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 31 of 66

ID	2376
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Hypecoum procumbens
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Saad,Phytochem.,38,(1995),1049 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 32 of 66

ID	2377
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Isopyrum thalictroides
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Istatkova,Phytochem.,54,(2000),959 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 33 of 66

ID	2378
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Litsea deccanensis
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
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. 34 of 66

ID	2379
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Miliusa velutina
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Jumana,Biochem.Syst.Ecol.,28,(2000),483 2. Hasan,Nat.Prod.Lett.,14,(2000),393 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 35 of 66

ID	2380
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Ocotea benesii
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Lopez,Int.J.Pharmacogn.,34,(1996),145 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 36 of 66

ID	2381
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Ocotea holdrigeana
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Varga,Fitoterapia,67,(1996),188 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 37 of 66

ID	2382
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Ocotea holdrigeiana
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Castro,Int.J.Pharmacognosy,32,(1994),406 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 38 of 66

ID	2383
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Ocotea vellosiana
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Garcez,Phytochem.,39,(1995),815 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 39 of 66

ID	2384
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Papaver confine
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 40 of 66

ID	2385
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Papaver pinnatifidum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,59,(1994),1879 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 41 of 66

ID	2386
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Papaver rhoeas
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
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. 42 of 66

ID	2387
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Papaver rhopalothece
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Sariyar,Planta Med.,56,(1990),232 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 43 of 66

ID	2388
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Papaver stevenianum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 44 of 66

ID	2389
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Phoebe clemensii
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)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. 45 of 66

ID	2390
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Sarcocapnos enneaphylla
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Tojo,Phytochem.,30,(1991),1005 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 46 of 66

ID	2391
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Sarcocapnos saetabensis
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Blanco,Phytochem.,30,(1991),2071 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 47 of 66

ID	2392
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Siparuna griseo-flavescens
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Lopez,Planta Med.,59,(1993),100 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 48 of 66

ID	2393
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania cepharantha
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Kashiwaba,Chem.Pharm.Bull.,45,(1997),470 2. Kashiwaba,Chem.Pharm.Bull.,43,(1997),545 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records

Record No. 49 of 66

ID	2394
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania dinklaget
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Goeran,Planta Med.,69,(2003),867 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 50 of 66

ID	2395
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania lincangensis
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Fang,Zhiwu Xuebao,33,(1991),552 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 51 of 66

ID	2396
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania macrantha
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Chen,Zhiwa Xuebao,36,(1994),486 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 52 of 66

ID	2397
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania officinarum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Fang,Zhiwu Xuebao,32,(1990),368 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 53 of 66

ID	2398
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Stephania pierii
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Tantisewie,J.Nat.Prod.,52,(1989),846 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 54 of 66

ID	2399
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Thalictrum delavayi
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
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. 55 of 66

ID	2400
Name	Isocorydine
Pubchem ID	10143
KEGG ID	C09549
Source	Thalictrum pedunculatum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	341.40
Exact mass	341.162708
Molecular formula	C₂₀H₂₃NO₄
XlogP	2.6
Topological Polar Surface Area	51.2
H-Bond Donor	1
H-Bond Acceptor	5
Rotational Bond Count	3
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
Isomeric SMILE	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
Drugpedia	wiki
References	1. Hussain,J.Nat.Prod.,52,(1989),428 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 56 of 66

ID	2950
Name	Promethazine
Pubchem ID	6014
KEGG ID	D00480
Source	N/A
Type	Unknown
Function	Sedative
Drug Like Properties	No
Molecular Weight	320.88
Exact mass	320.111397
Molecular formula	C₁₇H₂₁ClN₂S
XlogP	N/A
Topological Polar Surface Area	6.5
H-Bond Donor	1
H-Bond Acceptor	2
Rotational Bond Count	3
IUPAC Name	N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine hydrochloride
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl
Isomeric SMILE	N/A
Drugpedia	wiki
References	1. Source 2. Function 3. All Records

Record No. 57 of 66

ID	3094
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Meconopsis robusta
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
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. 58 of 66

ID	3095
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver albiflorum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 59 of 66

ID	3096
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver argemone
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Novak,Zemed.Praze.Fak.Agron.Rad.A.,55,(1993),23 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 60 of 66

ID	3097
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver californicum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Novak,Zemed.Praze.Fak.Agron.Rad.A.,55,(1993),23 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 61 of 66

ID	3098
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver confine
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 62 of 66

ID	3099
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver dubium
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 63 of 66

ID	3100
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver macrostomum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Novak,Zemed.Praze.Fak.Agron.Rad.A.,55,(1993),23 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 64 of 66

ID	3101
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver stevenianum
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Slavik,Collect.Czech.Chem.Commun.,55,(1990),1812 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 65 of 66

ID	3102
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver triniifolium
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Sari,Pharmazie,55,(2000),471 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records

Record No. 66 of 66

ID	3103
Name	Rhoeadine
Pubchem ID	197775
KEGG ID	C09619
Source	Papaver rhoeas
Type	Natural
Function	Sedative
Drug Like Properties	Yes
Molecular Weight	383.39
Exact mass	383.136887
Molecular formula	C₂₁H₂₁NO₆
XlogP	2.4
Topological Polar Surface Area	58.6
H-Bond Donor	0
H-Bond Acceptor	7
Rotational Bond Count	1
IUPAC Name	N/A
Structure
SDF file
MOL file
PDB file
Canonical SMILE	CN1CCC2=CC3=C(C=C2C4C1C5=C(C(O4)OC)C6=C(C=C5)OCO6)OCO3
Isomeric SMILE	CN1CCC2=CC3=C(C=C2[C@@H]4[C@H]1C5=C([C@H](O4)OC)C6=C(C=C5)OCO6)OCO3
Drugpedia	wiki
References	1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records