NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSubtrifloralactone B
NPACT-IdNPACT01326
IUPAC-
Synonyms-
PubChem Id10906541
ClassSteroids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyNXPCTOXORNPZMT-AORYTZFGSA-N
InChi1S/C27H34O6/c1-12-13(2)24(29)31-22(12)23-26(4,30)21-18-10-16-15-9-8-14-6-5-7-19(28)25(14,3)17(15)11-27(32-18,33-23)20(16)21/h5-6,8,12-13,15-18,20-23,30H,7,9-11H2,1-4H3/t12-,13-,15+,16+,17+,18+,20-,21+,22-,23-,25+,26-,27+/m1/s1
SMILESO1[C@@]23O[C@@H]([C@](O)([C@@H]4[C@H]2[C@H]([C@H]2[C@H](C3)[C@@]3(C(=CC2)C=CCC3=O)C)C[C@H]14)C)[C@@H]1OC(=O)[C@@H]([C@H]1C)C
SMART[H]O[C@]1(C([H])([H])[H])[C@@]2([H])[C@@]3([H])O[C@]4(O[C@]1([H])[C@]1([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[H])C([H])([H])[C@@]1([H])[C@@]([H])(C([H])([H])C([H])=C5C([H])=C([H])C([H])([H])C(=O)[C@]15C([H])([H])[H])[C@]([H])(C3([H])[H])[C@]24[H]
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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