5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl]-2-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 304131
• Molecular Formular: C32H22O10
• Molecular Mass: 566.51108
• Monoisotopic Mass: 566.1212969
• SMILES: c1(cc(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)c1c(cc(c2c1oc(cc2=O)c1ccc(cc1)OC)O)O)O)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)OC
• InChI: InChI=1S/C32H22O10/c1-39-17-6-3-15(4-7-17)26-14-25(38)31-23(36)12-22(35)29(32(31)42-26)19-9-16(5-8-20(19)33)27-13-24(37)30-21(34)10-18(40-2)11-28(30)41-27/h3-14,33-36H,1-2H3
• InChIKey: GZTVUTQZSAZUIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl]-2-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
• Synonyms: Podocarpusflavone B; Putraflavone

Database IDs

• CAS Number: 23624-21-7

CALCULATED PROPERTIES

• Acid pKa: 6.2264767
• H Acceptors: 10
• H Donor: 4
• LogD (pH = 5.5): 5.303933
• LogD (pH = 7.4): 3.8206184
• Log P: 5.379146
• Molar Refractivity: 153.8706 cm^3
• Polarizability: 58.628227 Å^3
• Polar Surface Area: 151.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Yellow powder