NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSubtrifloralactone I
NPACT-IdNPACT01333
IUPAC-
Synonyms-
PubChem Id21600013
ClassSteroids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWLDPSSGOHZXELX-YDUUIMMUSA-N
InChi1S/C30H40O7/c1-6-35-30-14-21-19(11-10-18-8-7-9-23(32)28(18,21)4)20-13-22(34-15-31)26(25(20)30)29(5,37-30)24-12-16(2)17(3)27(33)36-24/h7,9-10,15-17,19-22,24-26H,6,8,11-14H2,1-5H3/t16-,17+,19-,20-,21-,22-,24+,25+,26-,28-,29-,30+/m0/s1
SMILESO1[C@@]2(OCC)[C@@H]3[C@H]([C@H]4[C@H](C2)[C@@]2(C(=CC4)CC=CC2=O)C)C[C@H](OC=O)[C@@H]3[C@@]1([C@@H]1OC(=O)[C@@H]([C@H](C1)C)C)C
SMART[H]C(=O)O[C@@]1([H])C([H])([H])[C@]2([H])[C@]3([H])[C@@]1([H])[C@](O[C@]3(OC([H])([H])C([H])([H])[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])(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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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