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

• ChemBase ID: 191831
• Molecular Formular: C19H16O4
• Molecular Mass: 308.32794
• Monoisotopic Mass: 308.10485899
• SMILES: c12c(c(c(o1)C)C)cc1c(oc(=O)c3c1ccc(c3)OC)c2C
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2cc2c(c1C)oc(c2C)C
• InChI: InChI=1S/C19H16O4/c1-9-11(3)22-17-10(2)18-15(8-14(9)17)13-6-5-12(21-4)7-16(13)19(20)23-18/h5-8H,1-4H3
• InChIKey: INJLYPZZTYCKNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-11,14,15-trimethyl-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-11,14,15-trimethyl-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: 164247741
• PubChem CID: 707826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1531835
• LogD (pH = 7.4): 4.1531835
• Log P: 4.1531835
• Molar Refractivity: 87.4755 cm^3
• Polarizability: 35.31298 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds