Molecule ID: 688492

IUPAC Name: (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

Description: The molecule is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol.

SMILES: CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C

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

InChI: InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 0.5