NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundlespedezaflavanone B
NPACT-IdNPACT01248
IUPAC-
Synonymslespedezaflavanone B;(2S)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
PubChem Id484588
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBMIMEYWWZBBDCM-QHCPKHFHSA-N
InChi1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)23-13-22(29)24-21(28)12-20(27)18(25(24)30-23)9-6-15(3)4/h5-6,8,10-12,23,26-28H,7,9,13H2,1-4H3/t23-/m0/s1
SMILESO1[C@@H](CC(=O)c2c1c(CC=C(C)C)c(O)cc2O)c1cc(c(O)cc1)CC=C(C)C
SMART[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(=C(O[H])C([H])=C3[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2=O)=C1C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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.