Molecule ID: 11954194

IUPAC Name: (2Z,4E)-5-[(1R,6R)-1-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

Description: The molecule is the 8'-hydroxylated derivative of (+)-abscisic acid. It derives from a 2-cis-abscisic acid. It is a conjugate acid of a (+)-8'-hydroxyabscisate.

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

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

InChI: InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(2)7-12(17)8-14(15,3)9-16/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.9