Phyto4Health

Sotetsuflavone

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL450522
PubChem: 5494868
IUPAC: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Standard InChI: InChI=1S/C31H20O10/c1-39-26-13-23(38)30-22(37)12-24(14-2-5-16(32)6-3-14)41-31(30)28(26)18-8-15(4-7-19(18)34)25-11-21(36)29-20(35)9-17(33)10-27(29)40-25/h2-13,32-35,38H,1H3
Standard InChI Key: OIFVLHZEBAXHPM-UHFFFAOYSA-N
SMILES: COc1cc(O)c2c(c1c1cc(ccc1O)c1cc(=O)c3c(o1)cc(cc3O)O)oc(cc2=O)c1ccc(cc1)O

Molecular propeties

AlogP: 5.44
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 5
Rotatable bonds: 4
Number of rings: 6
Molecular Weight: 552.11
Topological polar surface area: 163
Number of aromatic rings: 6
Fsp3: 0.032
Number of carbons: 31

Plant sources

Part of plant Plant name Ref.
PlantOnonis spinosa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.