NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPapaverine
NPACT-IdNPACT00842
IUPAC1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
SynonymsPapaverin ;Robaxapap ;Pavabid ;Cerespan ;Pavacot ;Pavatym ;6,7-Dimethoxy-1-veratrylisoquinoline; 6,7-dimethoxy-1-veratryl-Isoquinoline ;1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-Isoquinoline ;1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline ;1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline ;Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl) ;Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI) ;6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline ;1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-isoquinoline ;4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene ;1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline ;1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline; 4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene
PubChem Id4680
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNOS2 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyXQYZDYMELSJDRZ-UHFFFAOYSA-N
InChi1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
SMILESO(c1cc2c(nccc2cc1OC)Cc1cc(OC)c(OC)cc1)C
SMART[H]C1=C([H])C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C2C(=N1)C([H])([H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1[H]
CAS No.58-74-2
Structure
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Cross Refrence in other databases
Super Natural   000058742
CTD   D010208
HIT   C0423
NCI-60 GI50 data   -
Suppliers Abbott Labs, ABI Chem, AKos Consulting & Solutions, Ambinter, ASINEX, ChemFrog, ChemMol, Therapeutic Targets Database, TimTec, Vitas-M Laboratory, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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