5-methoxy-10-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase ID: 227750
• Molecular Formular: C31H28O8
• Molecular Mass: 528.54922
• Monoisotopic Mass: 528.17841786
• SMILES: c12c(c3C(c4cc(c(OCC(=C)C)cc4)OC)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1ccc(c(c1)OC)OCC(=C)C
• InChI: InChI=1S/C31H28O8/c1-17(2)15-37-23-11-8-19(12-24(23)35-4)21-13-27(32)39-26-14-25(36-5)29-30(33)22(16-38-31(29)28(21)26)18-6-9-20(34-3)10-7-18/h6-12,14,16,21H,1,13,15H2,2-5H3
• InChIKey: NRGHZVKJJRQISM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-10-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC Traditional name: 5-methoxy-10-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3-(4-methoxyphenyl)-9H,10H-pyrano[2,3-h]chromene-4,8-dione

Database IDs

• PubChem SID: 164283660
• PubChem CID: 71754870

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 5.015241
• LogD (pH = 7.4): 5.015241
• Log P: 5.015241
• Molar Refractivity: 144.0786 cm^3
• Polarizability: 55.763226 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds