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Substance Name: Abscisic Acid
RN: 21293-29-8
UNII: 72S9A8J5GW
InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

Note

  • Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.

Molecular Formula

  • C15-H20-O4

Molecular Weight

  • 264.319
 

Classification Codes

  • Drug / Therapeutic Agent
  • Growth Substances
  • Plant Growth Regulators
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Names and Synonyms

Name of Substance

  • Abscisic acid

MeSH Heading

  • Abscisic acid

Synonyms

  • (S)-(+)-Abscisic acid
  • 2-cis,4-trans-Abscisic acid
  • ABA
  • ABK
  • Abscisic acid
  • Abscisin II
  • Acide abscisique
  • Acide abscisique [French]
  • BRN 2698956
  • cis-trans-(+)-Abscissic acid
  • Dormin (abscission factor)
  • Dormin (VAN)
  • EINECS 244-319-5
  • NSC 146877
  • NSC 148832
  • UNII-72S9A8J5GW

Systematic Names

  • (S-(Z,E))-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
  • 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-

Registry Numbers

CAS Registry Number

  • 21293-29-8

FDA UNII

  • 72S9A8J5GW

Other Registry Numbers

  • 11010-88-1
  • 11027-12-6
  • 11038-32-7
  • 14488-90-5
  • 16669-24-2
  • 18463-18-8
  • 22330-12-7
  • 34612-56-1

System Generated Number

  • 0021293298

Structure Descriptors

InChI

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

InChIKey

JLIDBLDQVAYHNE-YKALOCIXSA-N

Smiles

[C@@]1(C(CC(=O)C=C1C)(C)C)(/C=C/C(=C\C(=O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 91, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 160 deg C   EXP
log P (octanol-water) 2.380 (none)   EST
Atmospheric OH Rate Constant 1.47E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.