Molecule ID: 25243080

IUPAC Name: (6aR,11aR)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,8-diol

Description: The molecule is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 8, a methoxy group at position 9 and prenyl groups at positions 2 and 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 a member of pterocarpans, a member of phenols and an aromatic ether.

SMILES: COc1c(O)cc2c(c1CC=C(C)C)O[C@H]1c3cc(CC=C(C)C)c(O)cc3OC[C@@H]21

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

InChI: InChI=1S/C26H30O5/c1-14(2)6-8-16-10-19-23(12-21(16)27)30-13-20-18-11-22(28)26(29-5)17(9-7-15(3)4)24(18)31-25(19)20/h6-7,10-12,20,25,27-28H,8-9,13H2,1-5H3/t20-,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 6.1