NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundKaravilagenin E
NPACT-IdNPACT00702
IUPAC-
Synonyms-
PubChem Id46882748
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBZKMSMPQWDQSDS-ZRBXTNFGSA-N
InChi1S/C30H48O3/c1-19(2)16-21(31)17-20(3)22-10-12-28(7)23-11-13-30-24(8-9-25(32)26(30,4)5)29(23,18-33-30)15-14-27(22,28)6/h11,13,16,20-25,31-32H,8-10,12,14-15,17-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1
SMILESO1[C@]23[C@H]([C@]4([C@H]([C@]5([C@@]([C@H](CC5)[C@@H](C[C@@H](O)C=C(C)C)C)(CC4)C)C)C=C3)C1)CC[C@H](O)C2(C)C
SMART[H]O[C@@]([H])(C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3([H])C([H])=C([H])[C@@]45OC([H])([H])[C@]3(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]5(C([H])([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.