8-methoxy-3-(2-oxo-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-2H-chromen-4-yl)-2H-chromen-2-one

• ChemBase ID: 208484
• Molecular Formular: C28H20O6
• Molecular Mass: 452.4548
• Monoisotopic Mass: 452.12598836
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)cc(cc2)OC/C=C/c1ccccc1
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2)OC/C=C/c1ccccc1
• InChI: InChI=1S/C28H20O6/c1-31-24-11-5-10-19-15-23(28(30)34-27(19)24)22-17-26(29)33-25-16-20(12-13-21(22)25)32-14-6-9-18-7-3-2-4-8-18/h2-13,15-17H,14H2,1H3/b9-6+
• InChIKey: YAOCHFKWOOLRKT-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-3-(2-oxo-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-2H-chromen-4-yl)-2H-chromen-2-one
• IUPAC Traditional name: 8-methoxy-3-(2-oxo-7-{[(2E)-3-phenylprop-2-en-1-yl]oxy}chromen-4-yl)chromen-2-one

Database IDs

• PubChem SID: 164264394
• PubChem CID: 1783991

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9278474
• LogD (pH = 7.4): 4.9278474
• Log P: 4.9278474
• Molar Refractivity: 128.5897 cm^3
• Polarizability: 48.80375 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds