NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundSecofoveogline
NPACT-IdNPACT00944
IUPAC-
Synonyms-
PubChem Id-
ClassBenzofuranoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLWSABSBGRCFVDI-CQTOTRCISA-N
InChi1S/C37H38N2O8/c1-45-27-18-16-25(17-19-27)34(41)31(24-12-6-4-7-13-24)33(35(42)32-29(40)22-28(46-2)23-30(32)47-3)37(44)39-21-11-10-20-38-36(43)26-14-8-5-9-15-26/h4-9,12-19,22-23,31,33,40H,10-11,20-21H2,1-3H3,(H,38,43)(H,39,44)/t31-,33+/m0/s1
SMILESc1(cc(cc(c1C(=O)[C@@H]([C@@H](C(=O)c1ccc(cc1)OC)c1ccccc1)C(=O)NCCCCNC(=O)c1ccccc1)O)OC)OC
SMART[#6]OC1=CC=C(C=C1)C(=O)[C@H]([C@@H](C(=O)NCCCCNC(=O)C1=CC=CC=C1)C(=O)C1=C(O)C=C(O[#6])C=C1O[#6])C1=CC=CC=C1
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.