5,10-dimethyl-2-(2,3,4-trimethoxyphenyl)-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione

• ChemBase ID: 220820
• Molecular Formular: C23H22O7
• Molecular Mass: 410.41658
• Monoisotopic Mass: 410.13655304
• SMILES: c12c3c(cc(=O)oc3cc(c1C(=O)CC(O2)c1c(c(c(cc1)OC)OC)OC)C)C
• Canonical SMILES: COc1ccc(c(c1OC)OC)C1CC(=O)c2c(O1)c1c(C)cc(=O)oc1cc2C
• InChI: InChI=1S/C23H22O7/c1-11-8-17-20(12(2)9-18(25)29-17)23-19(11)14(24)10-16(30-23)13-6-7-15(26-3)22(28-5)21(13)27-4/h6-9,16H,10H2,1-5H3
• InChIKey: KGIRVCFYKOKAOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,10-dimethyl-2-(2,3,4-trimethoxyphenyl)-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione
• IUPAC Traditional name: 5,10-dimethyl-2-(2,3,4-trimethoxyphenyl)-2H,3H-pyrano[2,3-f]chromene-4,8-dione

Database IDs

• PubChem SID: 164276730
• PubChem CID: 42648675

CALCULATED PROPERTIES

• Acid pKa: 14.175503
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.24572
• LogD (pH = 7.4): 3.24572
• Log P: 3.24572
• Molar Refractivity: 109.5505 cm^3
• Polarizability: 42.013344 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds