Molecule ID: 42607813

IUPAC Name: (2S)-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Description: The molecule is a dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at position 7 and 4' and a geranyl group at position 8. It has a role as a plant metabolite. It is a dihydroxyflavanone and a member of 4'-hydroxyflavanones. It derives from a (2S)-flavanone.

SMILES: CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O

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

InChI: InChI=1S/C25H28O4/c1-16(2)5-4-6-17(3)7-12-20-22(27)14-13-21-23(28)15-24(29-25(20)21)18-8-10-19(26)11-9-18/h5,7-11,13-14,24,26-27H,4,6,12,15H2,1-3H3/b17-7+/t24-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 6.0