Phyto4Health

Sciadopitisin

Representations & DB's id

ChEBI: CHEBI:9050
ChEMBL: CHEMBL208908
PubChem: 5281696
IUPAC: 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
Standard InChI: InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3
Standard InChI Key: YCXRBCHEOFVYEN-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)OC

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.