Molecule ID: 25243166

IUPAC Name: (2S)-2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Description: The molecule is a monohydroxyflavanone that is flavanone substituted with a hydroxy group at position 7, prenyl groups at positions 6 and 8 and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 3' and 4'. 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.

SMILES: CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@H](c1ccc3c(c1)C=CC(C)(C)O3)CC2=O

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

InChI: InChI=1S/C30H34O4/c1-18(2)7-9-22-16-24-25(31)17-27(33-29(24)23(28(22)32)11-8-19(3)4)20-10-12-26-21(15-20)13-14-30(5,6)34-26/h7-8,10,12-16,27,32H,9,11,17H2,1-6H3/t27-/m0/s1

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 7.3