Molecule ID: 25227610

IUPAC Name: (3R)-7-hydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Description: The molecule is a hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 4', a methoxy group at position 2' and prenyl groups at positions 8 and 3'. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor. It has a role as a metabolite and a melanin synthesis inhibitor. It is a hydroxyisoflavanone and a methoxyisoflavanone.

SMILES: COc1c([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2=O)ccc(O)c1CC=C(C)C

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

InChI: InChI=1S/C26H30O5/c1-15(2)6-8-18-22(27)12-10-17(25(18)30-5)21-14-31-26-19(9-7-16(3)4)23(28)13-11-20(26)24(21)29/h6-7,10-13,21,27-28H,8-9,14H2,1-5H3/t21-/m0/s1

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 6.2