Molecule ID: 467498

IUPAC Name: (6aR,11aR)-9-methoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

Description: The molecule is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 3, a methoxy group at position 9 and a prenyl group at position 10. Isolated from Erythrina glauca and Erythrina stricta, it exhibits anti-HIV-1 activity. It has a role as a metabolite and an anti-HIV-1 agent. It is a member of pterocarpans, a member of phenols and an aromatic ether.

SMILES: COc1ccc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)cc3OC[C@@H]21

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

InChI: InChI=1S/C21H22O4/c1-12(2)4-6-15-18(23-3)9-8-14-17-11-24-19-10-13(22)5-7-16(19)21(17)25-20(14)15/h4-5,7-10,17,21-22H,6,11H2,1-3H3/t17-,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 47.9 Ų
- LogP: 4.5