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

• ChemBase ID: 227318
• Molecular Formular: C29H22O7
• Molecular Mass: 482.48078
• Monoisotopic Mass: 482.13655304
• SMILES: c12c(c3C(C4=Cc5c(OC4)cccc5)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)C1=Cc2c(OC1)cccc2
• InChI: InChI=1S/C29H22O7/c1-32-19-9-7-16(8-10-19)21-15-35-29-26-20(18-11-17-5-3-4-6-22(17)34-14-18)12-25(30)36-24(26)13-23(33-2)27(29)28(21)31/h3-11,13,15,20H,12,14H2,1-2H3
• InChIKey: CMDKOTSSXBLMHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283228
• PubChem CID: 71754447

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.289384
• LogD (pH = 7.4): 4.2893844
• Log P: 4.2893844
• Molar Refractivity: 132.2847 cm^3
• Polarizability: 50.74625 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds