NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBaicalein
NPACT-IdNPACT00301
IUPAC(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SynonymsNoroxylin
PubChem Id5281605
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity Yes
TargetsALOX12 | BAX | BCL2 | CASP3 | CCNB1 | CCND1 | CDK1 | CDK4 | PARP1 | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyFXNFHKRTJBSTCS-UHFFFAOYSA-N
InChi1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
SMILESo1c2c(c(O)c(O)c(O)c2)c(=O)cc1c1ccccc1
SMART[H]OC1=C(O[H])C(O[H])=C2C(=O)C([H])=C(OC2=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.491-67-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C006680
HIT   C0392
NCI-60 GI50 data   491-67-8
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Angene International, Calbiochem, ChemFrog, ChemMol, Hangzhou APIChem Technology, HDH Pharma, MolPort, R&D Chemicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, TimTec, Vitas-M Laboratory, 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

 






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