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

• ChemBase ID: 227815
• Molecular Formular: C28H22O8
• Molecular Mass: 486.46948
• Monoisotopic Mass: 486.13146766
• SMILES: c12c(c3C(c4cc5c(OCCO5)cc4)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)c(OC)cc1c2C(CC(=O)O1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C28H22O8/c1-31-17-6-3-15(4-7-17)19-14-35-28-25-18(16-5-8-20-21(11-16)34-10-9-33-20)12-24(29)36-23(25)13-22(32-2)26(28)27(19)30/h3-8,11,13-14,18H,9-10,12H2,1-2H3
• InChIKey: YJICAFOMJRJOAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283725
• PubChem CID: 71754934

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 3.869105
• LogD (pH = 7.4): 3.869105
• Log P: 3.869105
• Molar Refractivity: 128.6649 cm^3
• Polarizability: 49.77423 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