NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBrasiliensic acid
NPACT-IdNPACT01544
IUPAC-
Synonyms-
PubChem Id-
ClassBenzopyranoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYJAPDIVWYCOPNE-UHFFFAOYSA-N
InChi1S/C32H46O6/c1-10-11-23(16-25(33)34)26-29-27(28(35)21(8)22(9)38-29)31(37)32(30(26)36,15-14-19(4)5)17-24(20(6)7)13-12-18(2)3/h14,21-24,37H,2,6,10-13,15-17H2,1,3-5,7-9H3,(H,33,34)
SMILESC1(=C2C(=C(C(=O)C1(CC=C(C)C)CC(CCC(=C)C)C(=C)C)C(CC(=O)O)CCC)OC(C(C2=O)C)C)O
SMART[#6]CCC(CC(O)=O)C1=C2OC([#6])C([#6])C(=O)C2=C(O)C(CC=C([#6])[#6])(CC(CCC([#6])=C)C([#6])=C)C1=O
CAS No.-
Structure
Download

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.