Molecule ID: 15953774

IUPAC Name: 4-furo[2,3-f][1,3]benzodioxol-6-yl-6-(3-methylbut-2-enyl)benzene-1,3-diol

Description: The molecule is an organic heterotricyclic compound that is 5,6-methylenedioxybenzofuran substituted by a 2,4-dihydroxy-5-prenylphenyl moiety at position 2. Isolated from the roots of Sophora flavescens, it exhibits cytotoxic activity against the KB epidermoid carcinoma cell line. It has a role as a metabolite and an antineoplastic agent. It is a member of resorcinols, an organic heterotricyclic compound and an oxacycle.

SMILES: CC(C)=CCc1cc(-c2cc3cc4c(cc3o2)OCO4)c(O)cc1O

SELFIES: [C][C][Branch1][C][C][=C][C][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][O][C][O][Ring1][Branch2][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][O]

InChI: InChI=1S/C20H18O5/c1-11(2)3-4-12-5-14(16(22)8-15(12)21)18-6-13-7-19-20(24-10-23-19)9-17(13)25-18/h3,5-9,21-22H,4,10H2,1-2H3

Molecular Properties:
- Polar Surface Area: 72.1 Ų
- LogP: 5.0