Molecule ID: 440593

IUPAC Name: (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol

Description: The molecule is a member of the class of pterocarpans that is phaseollidin in which the prenyl group is replaced by a 3-hydroxy-3-methylbutyl group. It has a role as a phytoalexin. It derives from a phaseollidin.

SMILES: CC(C)(O)CCc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@@H]21

SELFIES: [C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][C@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][C@@H1][Ring1][=C][Ring1][O]

InChI: InChI=1S/C20H22O5/c1-20(2,23)8-7-13-16(22)6-5-12-15-10-24-17-9-11(21)3-4-14(17)19(15)25-18(12)13/h3-6,9,15,19,21-23H,7-8,10H2,1-2H3/t15-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 79.2 Ų
- LogP: 2.8