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

• ChemBase ID: 227480
• Molecular Formular: C27H20O8
• Molecular Mass: 472.4429
• Monoisotopic Mass: 472.1158176
• SMILES: c12c(c3C(c4cc5c(OCO5)cc4)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C27H20O8/c1-30-16-6-3-14(4-7-16)18-12-32-27-24-17(15-5-8-19-20(9-15)34-13-33-19)10-23(28)35-22(24)11-21(31-2)25(27)26(18)29/h3-9,11-12,17H,10,13H2,1-2H3
• InChIKey: ZKSYXTCTJAJLST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283390
• PubChem CID: 71754611

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 3.979206
• LogD (pH = 7.4): 3.979206
• Log P: 3.979206
• Molar Refractivity: 123.4744 cm^3
• Polarizability: 47.936447 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds