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

• ChemBase ID: 227813
• Molecular Formular: C29H26O9
• Molecular Mass: 518.51134
• Monoisotopic Mass: 518.15768241
• SMILES: c12c(c3C(c4c(c(c(cc4)OC)OC)OC)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)c(OC)cc1c2C(CC(=O)O1)c1ccc(c(c1OC)OC)OC
• InChI: InChI=1S/C29H26O9/c1-32-16-8-6-15(7-9-16)19-14-37-29-24-18(17-10-11-20(33-2)28(36-5)27(17)35-4)12-23(30)38-22(24)13-21(34-3)25(29)26(19)31/h6-11,13-14,18H,12H2,1-5H3
• InChIKey: NEVJBBPYEUSPRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283723
• PubChem CID: 71754932

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 3.8829587
• LogD (pH = 7.4): 3.8829587
• Log P: 3.8829587
• Molar Refractivity: 137.0971 cm^3
• Polarizability: 53.03316 Å^3
• Polar Surface Area: 98.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds