5-hydroxy-10-(4-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase ID: 227553
• Molecular Formular: C30H22O7
• Molecular Mass: 494.49148
• Monoisotopic Mass: 494.13655304
• SMILES: c12c(c3C(c4c5c(c(cc4)OC)cccc5)CC(=O)Oc3cc2O)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)c(O)cc1c2C(CC(=O)O1)c1ccc(c2c1cccc2)OC
• InChI: InChI=1S/C30H22O7/c1-34-17-9-7-16(8-10-17)22-15-36-30-27-21(13-26(32)37-25(27)14-23(31)28(30)29(22)33)19-11-12-24(35-2)20-6-4-3-5-18(19)20/h3-12,14-15,21,31H,13H2,1-2H3
• InChIKey: DSOPOLJPMFTQKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-10-(4-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC Traditional name: 5-hydroxy-10-(4-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)-9H,10H-pyrano[2,3-h]chromene-4,8-dione

Database IDs

• PubChem SID: 164283463
• PubChem CID: 71754682

CALCULATED PROPERTIES

• Acid pKa: 8.056337
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 5.6906896
• LogD (pH = 7.4): 5.6060977
• Log P: 5.691884
• Molar Refractivity: 136.1386 cm^3
• Polarizability: 53.537502 Å^3
• Polar Surface Area: 91.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds