(7R,8R)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5H,6H,7H,8H-furo[2,3-b]quinolin-7-ol

• ChemBase ID: 119313
• Molecular Formular: C18H23NO4
• Molecular Mass: 317.37952
• Monoisotopic Mass: 317.16270822
• SMILES: c12nc3c(c(c1CC[C@H]([C@]2(CC=C(C)C)OC)O)OC)cco3
• Canonical SMILES: CO[C@@]1(CC=C(C)C)[C@H](O)CCc2c1nc1occc1c2OC
• InChI: InChI=1S/C18H23NO4/c1-11(2)7-9-18(22-4)14(20)6-5-12-15(21-3)13-8-10-23-17(13)19-16(12)18/h7-8,10,14,20H,5-6,9H2,1-4H3/t14-,18+/m1/s1
• InChIKey: RNZIQNGNLJSLHV-KDOFPFPSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7R,8R)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5H,6H,7H,8H-furo[2,3-b]quinolin-7-ol
• IUPAC Traditional name: haplophyllidine
• Synonyms: (7R,8R)-4,8-dimethoxy-8-(3-methylbut-2-en-1-yl)-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-7-ol

Database IDs

• PubChem SID: 162108055
• PubChem CID: 442910

CALCULATED PROPERTIES

• Acid pKa: 13.722524
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.873678
• LogD (pH = 7.4): 2.8736796
• Log P: 2.8736799
• Molar Refractivity: 87.6592 cm^3
• Polarizability: 34.343414 Å^3
• Polar Surface Area: 64.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds