NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSubtrifloralactone G
NPACT-IdNPACT01331
IUPAC-
Synonyms-
PubChem Id21600011
ClassSteroids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNQO1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyZCPFYCRCMWEACC-BWXJJQPESA-N
InChi1S/C27H36O7/c1-12-13(2)25(32)34-23(12)24(31)27(4,33)22-19(29)10-16-15-9-8-14-6-5-7-20(30)26(14,3)17(15)11-18(28)21(16)22/h5-6,8,12-13,15-17,19,21-24,29,31,33H,7,9-11H2,1-4H3/t12-,13-,15+,16+,17+,19+,21-,22+,23-,24-,26+,27-/m1/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](O)[C@@H]1OC(=O)[C@@H]([C@H]1C)C)C
SMART[H]O[C@]([H])([C@]1([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])[H])[C@@](O[H])(C([H])([H])[H])[C@@]1([H])[C@@]([H])(O[H])C([H])([H])[C@]2([H])[C@]1([H])C(=O)C([H])([H])[C@@]1([H])[C@@]2([H])C([H])([H])C([H])=C2C([H])=C([H])C([H])([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

 






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