Molecule ID: 442793

IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

Description: The molecule is a beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. It has a role as an antineoplastic agent and a plant metabolite. It is a beta-hydroxy ketone and a member of guaiacols.

SMILES: CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1

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

InChI: InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 2.5