NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundLycorine
NPACT-IdNPACT00733
IUPAC-
SynonymsAmarylline;Galanthidine;Narcissine;Licorine;(-)-Lycorine
PubChem Id72378
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNOS2 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyXGVJWXAYKUHDOO-DANNLKNASA-N
InChi1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1
SMILESO[C@H]1[C@@H]2[C@@H]3N(CCC3=C[C@@H]1O)Cc1c2cc2OCOc2c1
SMART[H]O[C@@]1([H])C([H])=C2C([H])([H])C([H])([H])[N@]3C([H])([H])C4=C([H])C5=C(OC([H])([H])O5)C([H])=C4[C@@]([H])([C@@]23[H])[C@]1([H])O[H]
CAS No.476-28-8
Structure
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Cross Refrence in other databases
Super Natural   029477836
CTD   C015330
HIT   C0335
NCI-60 GI50 data   476-28-8
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, ChemMol, MolPort, Sigma-Aldrich, TimTec, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.