NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundAlvaradoins N
NPACT-IdNPACT00255
IUPAC8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Synonyms-
PubChem Id44424605
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOQNNWFYYFFGLHR-UQOPEDAQSA-N
InChi1S/C22H22O10/c1-8-6-11-15(13(25)7-8)16(26)14-10(4-3-5-12(14)24)22(11,30)20-18(28)17(27)19(29)21(32-20)31-9(2)23/h3-7,17-21,24-25,27-30H,1-2H3/t17-,18-,19-,20+,21+,22+/m1/s1
SMILESO1[C@H]([C@@]2(O)c3c(C(=O)c4c2cccc4O)c(O)cc(c3)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OC(=O)C
SMART[H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C1=C(C([H])=C(C([H])=C1O[H])C([H])([H])[H])[C@]2(O[H])[C@@]1([H])O[C@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
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   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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