Description
IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
InChI: InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKey: PJQLSMYMOKWUJG-UHFFFAOYSA-N
Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
Isomeric SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)O
Synonyms: Casticin; Vitexicarpin; 479-91-4; Quercetagetin 3,6,7,4′-tetramethyl ether; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one; 3′,5-Dihydroxy-3,4′,6,7-tetramethoxyflavone; UNII-753GT729OU; 3,6,7,4′-Tetra-O-methyl-5,3′-dihydroxyflavone; …
Botanical Source: Vitex negundo fructus