Molecule ID: 467497

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

Description: The molecule is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 9, a methoxy group at position 3 and a prenyl group at position 2. Isolated from Erythrina glauca and Erythrina burttii, it exhibits anti-HIV activity. It has a role as an anti-HIV agent and a plant metabolite. It is a member of pterocarpans, a member of phenols and an aromatic ether. It derives from a (6aR,11aR)-pterocarpan.

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

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@@H1][Ring1][#Branch2][C][O][Ring2][Ring1][Branch1]

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

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