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

• ChemBase ID: 227363
• Molecular Formular: C30H22O9
• Molecular Mass: 526.49028
• Monoisotopic Mass: 526.12638228
• SMILES: c12c(c3C(c4c(=O)c5c(oc4)ccc(c5)OC)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)c(OC)cc1c2C(CC(=O)O1)c1coc2c(c1=O)cc(cc2)OC
• InChI: InChI=1S/C30H22O9/c1-34-16-6-4-15(5-7-16)20-13-38-30-26-18(11-25(31)39-24(26)12-23(36-3)27(30)29(20)33)21-14-37-22-9-8-17(35-2)10-19(22)28(21)32/h4-10,12-14,18H,11H2,1-3H3
• InChIKey: YXVOSYAVJROKGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283273
• PubChem CID: 71754493

CALCULATED PROPERTIES

• Molar Refractivity: 138.7167 cm^3
• Polarizability: 53.28253 Å^3
• Polar Surface Area: 106.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 3.7766652
• LogD (pH = 7.4): 3.7766652
• Log P: 3.7766652

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds