abscisic acid

Ligand id: 10362

Name: abscisic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 74.6
Molecular weight 264.14
XLogP 0.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid
Synonyms
(+/-)-(cis,trans)-abscisic acid | (+/-)-Abscisic acid | (RS)-Abscisic acid | ABA
Comments
We show the compound without specified stereochemistry to represent racemic abscisic acid. The (1S)- or (+)-enantiomer (PubChem CID 12305886), is the naturally occurring and more active form of abscisic acid.
Abscisic acid activates human granulocytes [3] and stimulates insulin secretion by human and murine pancreatic β cells [1], via similar signalling pathways, that require a LANCL2-containing protein complex linked to a Gi protein, that ultimately leads to elevation of the intracellular Ca2+ concentration [7]. In cellular and animal models abscisic acid exerts anti-inflammatory [3-5] and antidiabetic [2,6] effects.
Database Links
ChEMBL Ligand CHEMBL379808
GtoPdb PubChem SID 384403642
PubChem CID 5375199
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