NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPonapensin
NPACT-IdNPACT00876
IUPAC-
Synonyms-
PubChem Id44430502
ClassBenzofuranoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyOLDQJFAOLFTZIG-QEQDXXSVSA-N
InChi1S/C32H35NO8/c1-37-21-14-12-20(13-15-21)32-26(19-9-6-5-7-10-19)28(29(34)33-16-8-11-25(33)40-4)31(36,30(32)35)27-23(39-3)17-22(38-2)18-24(27)41-32/h5-7,9-10,12-15,17-18,25-26,28,30,35-36H,8,11,16H2,1-4H3/t25-,26+,28-,30-,31-,32-/m0/s1
SMILESO1[C@]2([C@@H]([C@H]([C@](O)([C@@H]2O)c2c1cc(OC)cc2OC)C(=O)N1[C@@H](OC)CCC1)c1ccccc1)c1ccc(OC)cc1
SMART[H]O[C@@]1([H])[C@]2(O[H])C3=C(O[C@@]1(C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])[C@]([H])(C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]2([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])OC([H])([H])[H])C([H])=C(OC([H])([H])[H])C([H])=C3OC([H])([H])[H]
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C518999
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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