NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2,3-dihydro-3-beta -methoxyixocarpalactone B
NPACT-IdNPACT01413
IUPAC-
Synonyms-
PubChem Id11005993
ClassSteroids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFMXASOLJOQKFKS-XJOPBBTQSA-N
InChi1S/C29H42O9/c1-12-13(2)29(38-23(12)32)24(33)27(5,34)21-17(36-29)10-16-14-9-20-28(37-20)22(31)18(35-6)11-19(30)26(28,4)15(14)7-8-25(16,21)3/h12-18,20-22,24,31,33-34H,7-11H2,1-6H3/t12-,13-,14-,15+,16+,17+,18+,20-,21?,22+,24+,25+,26+,27?,28+,29?/m1/s1
SMILESO1[C@@]23[C@@]([C@@H]4[C@H]([C@H]5[C@@](C6[C@@H](OC7(OC(=O)[C@@H]([C@H]7C)C)[C@@H](O)C6(O)C)C5)(CC4)C)C[C@@H]12)(C(=O)C[C@H](OC)[C@@H]3O)C
SMART[#6]O[C@H]1CC(=O)[C@]2([#6])[C@H]3CC[C@@]4([#6])[C@@H](C[C@@H]5OC6(OC(=O)[C@H]([#6])[C@H]6[#6])[C@@H](O)C([#6])(O)C45)[C@@H]3C[C@H]3O[C@@]23[C@H]1O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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