NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundBalsaminol B
NPACT-IdNPACT00305
IUPAC-
Synonyms-
PubChem Id44607277
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXIQPIAMRFKEZPL-IQOYCCEYSA-N
InChi1S/C31H52O4/c1-19(2)15-21(33)16-20(3)22-11-12-31(7)27-25(35-8)17-24-23(9-10-26(34)29(24,5)18-32)28(27,4)13-14-30(22,31)6/h15,17,20-23,25-27,32-34H,9-14,16,18H2,1-8H3/t20-,21+,22-,23-,25+,26+,27-,28+,29-,30-,31+/m1/s1
SMILESO([C@@H]1[C@H]2[C@]3([C@@]([C@H](CC3)[C@@H](C[C@@H](O)C=C(C)C)C)(CC[C@]2([C@H]2C(=C1)[C@]([C@@H](O)CC2)(CO)C)C)C)C)C
SMART[H]OC([H])([H])[C@@]1(C2=C([H])[C@]([H])(OC([H])([H])[H])[C@@]3([H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]1([H])O[H])C([H])([H])[H]
CAS No.1189131-53-0
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   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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