NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSubtrifloralactone C
NPACT-IdNPACT01327
IUPAC-
Synonyms-
PubChem Id11027076
ClassSteroids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYIHXRNSBYZFMDW-RIZSMICKSA-N
InChi1S/C27H34O7/c1-12-13(2)23(29)32-20(12)22-25(4,30)19-17-11-26(31)15-9-8-14-6-5-7-18(28)24(14,3)16(15)10-27(33-17,34-22)21(19)26/h5,7-8,12-13,15-17,19-22,30-31H,6,9-11H2,1-4H3/t12-,13-,15-,16+,17+,19+,20-,21+,22-,24+,25-,26-,27+/m1/s1
SMILESO1[C@@]23O[C@@H]([C@](O)([C@@H]4[C@H]2[C@](O)([C@H]2[C@H](C3)[C@@]3(C(=CC2)CC=CC3=O)C)C[C@H]14)C)[C@@H]1OC(=O)[C@@H]([C@H]1C)C
SMART[H]O[C@@]12C([H])([H])[C@]3([H])O[C@]4(O[C@]([H])([C@]5([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]5([H])C([H])([H])[H])[C@@](O[H])(C([H])([H])[H])[C@]3([H])[C@@]14[H])C([H])([H])[C@@]1([H])[C@@]2([H])C([H])([H])C([H])=C2C([H])([H])C([H])=C([H])C(=O)[C@]12C([H])([H])[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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