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

• ChemBase ID: 228140
• Molecular Formular: C30H28O8
• Molecular Mass: 516.53852
• Monoisotopic Mass: 516.17841786
• SMILES: c12c(c3C(c4cc(c(OC(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)OC(C)C
• InChI: InChI=1S/C30H28O8/c1-16(2)37-22-11-8-18(12-23(22)34-4)20-13-26(31)38-25-14-24(35-5)28-29(32)21(15-36-30(28)27(20)25)17-6-9-19(33-3)10-7-17/h6-12,14-16,20H,13H2,1-5H3
• InChIKey: NJGMMYAWTNTXHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164284050
• PubChem CID: 71755258

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.814013
• LogD (pH = 7.4): 4.814013
• Log P: 4.814013
• Molar Refractivity: 139.8013 cm^3
• Polarizability: 54.169235 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds