NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSubtrifloralactone K
NPACT-IdNPACT01335
IUPAC-
Synonyms-
PubChem Id21581801
ClassSteroids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWGNSSHTUPLHGIN-VOPCDFDQSA-N
InChi1S/C27H34O9/c1-9-10(2)23(30)34-20(9)22-25(4,31)19-14-5-12-11-6-17-27(32)21(29)15(33-17)7-16(28)24(27,3)13(11)8-26(35-14,36-22)18(12)19/h9-15,17-20,22,31-32H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14+,15-,17+,18-,19+,20-,22-,24+,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@]5(O)[C@@H](O[C@@H](C5=O)CC3=O)C2)C)C[C@H]14)C)[C@@H]1OC(=O)[C@@H]([C@H]1C)C
SMART[H]O[C@]12C(=O)[C@]3([H])O[C@@]1([H])C([H])([H])[C@@]1([H])[C@]4([H])C([H])([H])[C@]5([H])O[C@]6(O[C@]([H])([C@]7([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]7([H])C([H])([H])[H])[C@@](O[H])(C([H])([H])[H])[C@]5([H])[C@@]46[H])C([H])([H])[C@]1([H])[C@]2(C(=O)C3([H])[H])C([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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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