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

• ChemBase ID: 107871
• Molecular Formular: C33H24O10
• Molecular Mass: 580.53766
• Monoisotopic Mass: 580.13694697
• SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(O)cc2O)c1c(OC)ccc(c1)c1cc(=O)c2c(o1)cc(OC)cc2O
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)OC
• 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
• InChIKey: YCXRBCHEOFVYEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: sciadopitysin
• Synonyms: Sciadopitysin; SCIADOPITYSIN

Database IDs

• CAS Number: 521-34-6
• PubChem SID: 162106093
• PubChem CID: 5281696

CALCULATED PROPERTIES

• Acid pKa: 6.2270675
• H Acceptors: 10
• H Donor: 3
• LogD (pH = 5.5): 5.4500175
• LogD (pH = 7.4): 4.011515
• Log P: 5.52504
• Molar Refractivity: 158.3529 cm^3
• Polarizability: 60.53728 Å^3
• Polar Surface Area: 140.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Yellow powder

Product Information

• Purity: 96.0

DETAILS

MP Biomedicals - 05205283

MP Biomedicals Rare Chemical collection