Molecule ID: 51040900

IUPAC Name: (2S)-5-hydroxy-2-[2-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one

Description: The molecule is an extended flavonoid that is (2S)-flavanone substituted b y hydroxy groups at positions 5 and 2', prenyl group at position 3 and a gem-dimethylpyran ring fused across positions 7 and 8. 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. It is an extended flavonoid, a dihydroxyflavanone and an organic heterotricyclic compound.

SMILES: CC(C)=CCc1cccc([C@@H]2CC(=O)c3c(O)cc4c(c3O2)C=CC(C)(C)O4)c1O

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

InChI: InChI=1S/C25H26O5/c1-14(2)8-9-15-6-5-7-16(23(15)28)20-12-18(26)22-19(27)13-21-17(24(22)29-20)10-11-25(3,4)30-21/h5-8,10-11,13,20,27-28H,9,12H2,1-4H3/t20-/m0/s1

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 5.6