Molecule ID: 25242995

IUPAC Name: (6aR,11aR)-1,9-dimethoxy-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, methoxy groups at positions 1 and 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 an aromatic ether, a member of phenols and a member of pterocarpans.

SMILES: COc1c(O)cc2c(c1CC=C(C)C)O[C@H]1c3c(cc(O)c(CC=C(C)C)c3OC)OC[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][Branch2][Ring1][Branch1][C][=C][Branch1][C][O][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][=C][Ring1][N][O][C][O][C][C@@H1][Ring2][Ring1][O][Ring2][Ring1][C]

InChI: InChI=1S/C27H32O6/c1-14(2)7-9-16-20(28)12-22-23(26(16)31-6)27-19(13-32-22)18-11-21(29)25(30-5)17(24(18)33-27)10-8-15(3)4/h7-8,11-12,19,27-29H,9-10,13H2,1-6H3/t19-,27+/m0/s1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 6.1