5-methoxy-14-methyl-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: 191654
• Molecular Formular: C23H16O4
• Molecular Mass: 356.37074
• Monoisotopic Mass: 356.10485899
• SMILES: c12c(c(oc1cc1c(c3c(c(=O)o1)cc(cc3)OC)c2)C)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2c(c1)oc(c2c1ccccc1)C
• InChI: InChI=1S/C23H16O4/c1-13-22(14-6-4-3-5-7-14)19-11-17-16-9-8-15(25-2)10-18(16)23(24)27-20(17)12-21(19)26-13/h3-12H,1-2H3
• InChIKey: ZWXOKESCABMIJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-14-methyl-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-14-methyl-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: 164247564
• PubChem CID: 3710656

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7735662
• LogD (pH = 7.4): 4.7735662
• Log P: 4.7735662
• Molar Refractivity: 102.5293 cm^3
• Polarizability: 42.827305 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds