5-methoxy-10-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase ID: 228146
• Molecular Formular: C29H24O9
• Molecular Mass: 516.49546
• Monoisotopic Mass: 516.14203235
• SMILES: c12c(c3C(c4cc5c(c(c4)OC)OCCO5)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)c(OC)cc1c2C(CC(=O)O1)c1cc(OC)c2c(c1)OCCO2
• InChI: InChI=1S/C29H24O9/c1-32-17-6-4-15(5-7-17)19-14-37-29-25-18(16-10-22(34-3)28-23(11-16)35-8-9-36-28)12-24(30)38-21(25)13-20(33-2)26(29)27(19)31/h4-7,10-11,13-14,18H,8-9,12H2,1-3H3
• InChIKey: QYQLVKREKUVBHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-10-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC Traditional name: 5-methoxy-10-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-9H,10H-pyrano[2,3-h]chromene-4,8-dione

Database IDs

• PubChem SID: 164284056
• PubChem CID: 71755263

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 3.711434
• LogD (pH = 7.4): 3.711434
• Log P: 3.711434
• Molar Refractivity: 135.1281 cm^3
• Polarizability: 52.31376 Å^3
• Polar Surface Area: 98.75 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds