NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTribenzoylbalsaminol F
NPACT-IdNPACT00992
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCBPYGZZVJLABTM-MXHWHTTGSA-N
InChi1S/C51H62O6/c1-33(2)30-38(55-45(52)35-18-12-9-13-19-35)31-34(3)39-26-27-51(8)44-42(56-46(53)36-20-14-10-15-21-36)32-41-40(49(44,6)28-29-50(39,51)7)24-25-43(48(41,4)5)57-47(54)37-22-16-11-17-23-37/h9-23,30,32,34,38-40,42-44H,24-29,31H2,1-8H3/t34-,38+,39-,4
SMILESC1C[C@@H](C(C2=C[C@@H]([C@@H]3[C@]([C@H]12)(CC[C@@]1([C@H](CC[C@@]31C)[C@@H](C[C@@H](OC(=O)c1ccccc1)C=C(C)C)C)C)C)OC(=O)c1ccccc1)(C)C)OC(=O)c1ccccc1
SMART[H][C@@]12CC[C@H](OC(=O)C3=CC=CC=C3)[C@@]([#6])([#6])C1=C[C@H](OC(=O)C1=CC=CC=C1)[C@@]1([H])[C@]3([#6])CC[C@H]([C@H]([#6])C[C@@H](OC(=O)C4=CC=CC=C4)C=C(/[#6])[#6])[C@@]3([#6])CC[C@@]21[#6]
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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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