A8S

(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid


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Chemical Component Summary

Name(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Synonyms(+)-abscisic acid; (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic acid
Identifiers(4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid
FormulaC15 H20 O4
Molecular Weight264.317
TypeNON-POLYMER
Isomeric SMILESCC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C
InChIInChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
InChIKeyJLIDBLDQVAYHNE-YKALOCIXSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count1
Bond Count39
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB16829 
NameAbscisic Acid
Groups investigational
Synonyms
  • Abscisic Acid
  • Abscisin II
  • Acide abscisique
Categories
  • Acids, Carbocyclic
  • Alkenes
  • Carotenoids
  • Cyclohexanecarboxylic Acids
  • Cyclohexanes
CAS number21293-29-8

Related Resource References

Resource NameReference
PubChem 5280896
ChEMBL CHEMBL288040
ChEBI CHEBI:2365