NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundHispidulin
NPACT-IdNPACT01227
IUPAC-
SynonymsDinatin;6-O-Methylapigenin;1447-88-7;4',5,7-Trihydroxy-6-methoxyflavone;4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-;5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one;
PubChem Id5281628
ClassFlavonoid
In-vitro anticancer activity 9 cancer cell lines
In-Vivo anticancer activity No
TargetsCDKN1A | PRKAB1 | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyIHFBPDAQLQOCBX-UHFFFAOYSA-N
InChi1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
SMILESo1c2c(c(O)c(OC)c(O)c2)c(=O)cc1c1ccc(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])C(=O)C2=C(O1)C([H])=C(O[H])C(OC([H])([H])[H])=C2O[H]
CAS No.1447-88-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C055957
HIT   -
NCI-60 GI50 data   1447-88-7
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, ChemMol, MolPort, TimTec, ZINC, 
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.