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

• ChemBase ID: 228187
• Molecular Formular: C25H20O7
• Molecular Mass: 432.4221
• Monoisotopic Mass: 432.12090298
• SMILES: c12c(c3C(c4oc(cc4)C)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1ccc(o1)C
• InChI: InChI=1S/C25H20O7/c1-13-4-9-18(31-13)16-10-21(26)32-20-11-19(29-3)23-24(27)17(12-30-25(23)22(16)20)14-5-7-15(28-2)8-6-14/h4-9,11-12,16H,10H2,1-3H3
• InChIKey: NTHXEBXJZSNKIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164284097
• PubChem CID: 71755303

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.5378268
• LogD (pH = 7.4): 3.5378268
• Log P: 3.5378268
• Molar Refractivity: 115.3251 cm^3
• Polarizability: 44.097343 Å^3
• Polar Surface Area: 84.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds