methyl 1-(3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}propanoyl)piperidine-4-carboxylate

• ChemBase ID: 217636
• Molecular Formular: C26H33NO7
• Molecular Mass: 471.54272
• Monoisotopic Mass: 471.2257024
• SMILES: c12c(c(c(c(=O)o1)CCC(=O)N1CCC(C(=O)OC)CC1)C)c(cc1c2CCC(O1)(C)C)OC
• Canonical SMILES: COC(=O)C1CCN(CC1)C(=O)CCc1c(=O)oc2c(c1C)c(OC)cc1c2CCC(O1)(C)C
• InChI: InChI=1S/C26H33NO7/c1-15-17(6-7-21(28)27-12-9-16(10-13-27)24(29)32-5)25(30)33-23-18-8-11-26(2,3)34-19(18)14-20(31-4)22(15)23/h14,16H,6-13H2,1-5H3
• InChIKey: YNWUBVUHZGAPDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}propanoyl)piperidine-4-carboxylate
• IUPAC Traditional name: methyl 1-(3-{5-methoxy-4,8,8-trimethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-3-yl}propanoyl)piperidine-4-carboxylate

Database IDs

• PubChem SID: 164273546
• PubChem CID: 16407634

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7728784
• LogD (pH = 7.4): 2.7728808
• Log P: 2.7728808
• Molar Refractivity: 125.7157 cm^3
• Polarizability: 48.84769 Å^3
• Polar Surface Area: 91.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds