Phyto4Health

Kayaflavone

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL453479
PubChem: 9894522
IUPAC: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C33H24O10/c1-39-19-7-4-16(5-8-19)26-14-23(37)32-24(38)15-28(41-3)30(33(32)43-26)20-10-17(6-9-25(20)40-2)27-13-22(36)31-21(35)11-18(34)12-29(31)42-27/h4-15,34-35,38H,1-3H3
Standard InChI Key: RROKRDUARFDCDH-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)OC)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)O

Molecular propeties

AlogP: 6.04
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 3
Rotatable bonds: 6
Number of rings: 6
Molecular Weight: 580.14
Topological polar surface area: 141
Number of aromatic rings: 6
Fsp3: 0.091
Number of carbons: 33

Plant sources

Part of plant Plant name Ref.
PlantOnonis spinosa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.