NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound2'R,4'-hydroxyemoroidocarpan
NPACT-IdNPACT00103
IUPAC-
Synonyms-
PubChem Id46939793
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKSESTLPJESZHFG-ZSDSOXJFSA-N
InChi1S/C21H18O6/c1-10(7-22)15-3-11-2-13-17(5-16(11)26-15)23-8-14-12-4-19-20(25-9-24-19)6-18(12)27-21(13)14/h2,4-6,14-15,21-22H,1,3,7-9H2/t14-,15+,21-/m0/s1
SMILESO1[C@@H]2[C@H](c3c1cc1OCOc1c3)COc1c2cc2C[C@@H](Oc2c1)C(=C)CO
SMARTOCC(=C)[C@H]1CC2=CC3=C(OC[C@@H]4[C@H]3OC3=CC5=C(OCO5)C=C43)C=C2O1
CAS No.24612-37-1;24480-44-2
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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