Molecule ID: 51040899

IUPAC Name: (2S)-5,7-dihydroxy-2-[2-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Description: The molecule is a trihydroxyflavanone that is (2S)-5,7,2'-trihydroxyflavanone substituted by prenyl groups at positions 8 and 3'. Isolated from Dalea boliviana, it exhibits inhibitory activity against tyrosinase. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite.

SMILES: CC(C)=CCc1cccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c1O

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

InChI: InChI=1S/C25H28O5/c1-14(2)8-10-16-6-5-7-18(24(16)29)22-13-21(28)23-20(27)12-19(26)17(25(23)30-22)11-9-15(3)4/h5-9,12,22,26-27,29H,10-11,13H2,1-4H3/t22-/m0/s1

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 6.2