NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGenipin
NPACT-IdNPACT00603
IUPACmethyl(1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Synonyms-
PubChem Id442424
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity Yes
TargetsCYCS | TP63 | UCP2 |   All | 
Properties Physical   Elemental  Topological
InChi KeyAZKVWQKMDGGDSV-BCMRRPTOSA-N
InChi1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
SMILESO1[C@@H](O)[C@H]2[C@H](CC=C2CO)C(=C1)C(=O)OC
SMART[H]OC([H])([H])C1=C([H])C([H])([H])[C@]2([H])C(=C([H])O[C@@]([H])(O[H])[C@]12[H])C(=O)OC([H])([H])[H]
CAS No.6902-77-8
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C007834
HIT   C0344
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemMol, MolPort, TimTec, ZINC, 
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.