Molecule ID: 25242997

IUPAC Name: (6aR,11aR)-3,9-dimethoxy-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol

Description: The molecule is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 8, methoxy groups at positions 3 and 9 and a prenyl group at position 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has a role as a melanin synthesis inhibitor and a plant metabolite. It is an aromatic ether, a member of phenols and a member of pterocarpans.

SMILES: COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OC)c(CC=C(C)C)c3O[C@@H]21

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

InChI: InChI=1S/C22H24O5/c1-12(2)5-7-15-21-16(10-18(23)22(15)25-4)17-11-26-19-9-13(24-3)6-8-14(19)20(17)27-21/h5-6,8-10,17,20,23H,7,11H2,1-4H3/t17-,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 4.5