NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAsitrilobins B
NPACT-IdNPACT00297
IUPAC-
Synonyms-
PubChem Id179866
ClassPolyketides
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXNODZYPOIPVPRF-UHFFFAOYSA-N
InChi1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3
SMILESO1[C@H](CC[C@H]1[C@@H](O)CCCCCCCCCCCC)[C@H](O)CCCC[C@@H](O)CCCCC[C@H](O)CC1=C[C@H](OC1=O)C
SMART[H]O[C@]([H])(C([H])([H])C1=C([H])[C@]([H])(OC1=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]1([H])O[C@@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CAS No.130853-76-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C120123
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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