NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSubtrifloralactone E
NPACT-IdNPACT01329
IUPAC-
Synonyms-
PubChem Id21600009
ClassSteroids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyNVKJYOVOBGGULO-ZPYHKRAVSA-N
InChi1S/C27H36O6/c1-13-10-22(33-25(31)14(13)2)27(4,32)24-20(29)11-17-16-9-8-15-6-5-7-21(30)26(15,3)18(16)12-19(28)23(17)24/h5-6,8,13-14,16-18,20,22-24,29,32H,7,9-12H2,1-4H3/t13-,14+,16-,17-,18-,20-,22+,23+,24-,26-,27-/m0/s1
SMILESO[C@@H]1[C@@H]([C@@H]2[C@H]([C@H]3[C@@H]([C@@]4(C(=CC3)C=CCC4=O)C)CC2=O)C1)[C@@](O)([C@@H]1OC(=O)[C@@H]([C@H](C1)C)C)C
SMART[H]O[C@@]1([H])C([H])([H])[C@]2([H])[C@]([H])(C(=O)C([H])([H])[C@@]3([H])[C@@]2([H])C([H])([H])C([H])=C2C([H])=C([H])C([H])([H])C(=O)[C@]32C([H])([H])[H])[C@@]1([H])[C@](O[H])(C([H])([H])[H])[C@]1([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([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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