Molecule ID: 92470518

IUPAC Name: (6aS,11aS)-3-methoxy-2-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-6a,9-diol

Description: The molecule is a member of the class of pterocarpans carrying two hydroxy substituents at positions 6a and 9 as well as prenyl and methoxy substituents at positions 2 and 3 respectively. It has a role as a plant metabolite. It is a member of pterocarpans, a member of phenols and an aromatic ether.

SMILES: COc1cc2c(cc1CC=C(C)C)[C@@H]1Oc3cc(O)ccc3[C@]1(O)CO2

SELFIES: [C][O][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][C][=C][Branch1][C][C][C][C@@H1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@][Ring1][#Branch2][Branch1][C][O][C][O][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C21H22O5/c1-12(2)4-5-13-8-15-18(10-17(13)24-3)25-11-21(23)16-7-6-14(22)9-19(16)26-20(15)21/h4,6-10,20,22-23H,5,11H2,1-3H3/t20-,21+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 3.5