5-methoxy-11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one

• ChemBase ID: 192055
• Molecular Formular: C24H18O4
• Molecular Mass: 370.39732
• Monoisotopic Mass: 370.12050906
• SMILES: c12c(c(c(o1)C)c1ccccc1)cc1c(oc(=O)c3c1ccc(c3)OC)c2C
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2c(c3ccccc3)c(oc2c1C)C
• InChI: InChI=1S/C24H18O4/c1-13-22-18(17-10-9-16(26-3)11-19(17)24(25)28-22)12-20-21(14(2)27-23(13)20)15-7-5-4-6-8-15/h4-12H,1-3H3
• InChIKey: FWJVYQVFCRHHAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one
• IUPAC Traditional name: 5-methoxy-11,14-dimethyl-15-phenyl-9,13-dioxatetracyclo[8.7.0.0^2,^7.0^1^2,^1^6]heptadeca-1(10),2,4,6,11,14,16-heptaen-8-one

Database IDs

• PubChem SID: 164247965
• PubChem CID: 1299801

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.286988
• LogD (pH = 7.4): 5.286988
• Log P: 5.286988
• Molar Refractivity: 107.5705 cm^3
• Polarizability: 44.59302 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds