NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundTriacetylbalsaminol F
NPACT-IdNPACT00991
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGXSSFBXVARVYOU-JJYLABBESA-N
InChi1S/C36H56O6/c1-21(2)18-26(40-23(4)37)19-22(3)27-14-15-36(11)32-30(41-24(5)38)20-29-28(34(32,9)16-17-35(27,36)10)12-13-31(33(29,7)8)42-25(6)39/h18,20,22,26-28,30-32H,12-17,19H2,1-11H3/t22-,26+,27-,28-,30+,31+,32-,34+,35-,36+/m1/s1
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)C)C=C(C)C)C)C)C)OC(=O)C)(C)C)OC(=O)C
SMART[H][C@@]12CC[C@H](OC([#6])=O)[C@@]([#6])([#6])C1=C[C@H](OC([#6])=O)[C@@]1([H])[C@]3([#6])CC[C@H]([C@H]([#6])C[C@@H](OC([#6])=O)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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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