NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBalsaminoside A
NPACT-IdNPACT00310
IUPAC-
Synonyms-
PubChem Id44555454
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySIFXZLRBHSSMMW-CUSGLKLLSA-N
InChi1S/C37H62O8/c1-21(11-10-15-33(2,3)43-9)22-14-16-37(8)31-25(44-32-30(42)29(41)28(40)26(20-38)45-32)19-24-23(12-13-27(39)34(24,4)5)35(31,6)17-18-36(22,37)7/h10,15,19,21-23,25-32,38-42H,11-14,16-18,20H2,1-9H3/b15-10+/t21-,22-,23-,25+,26+,27+,28+,29+,30+,31-,
SMILESO([C@@H]1[C@H]2[C@]3([C@@]([C@H](CC3)[C@@H](C/C=C/C(OC)(C)C)C)(CC[C@]2([C@H]2C(=C1)C([C@@H](O)CC2)(C)C)C)C)C)[C@H]1O[C@H]([C@H](O)[C@H](O)[C@@H]1O)CO
SMART[H]OC([H])([H])[C@]1([H])O[C@]([H])(O[C@@]2([H])C([H])=C3[C@@]([H])(C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]3(C([H])([H])[H])C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@]23[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])=C(/[H])[C@@](OC([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[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.