U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O4
Molecular Weight 264.3169
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ABSCISIC ACID, (-)-(2Z,4E)-

SMILES

CC(\C=C\[C@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O

InChI

InChIKey=JLIDBLDQVAYHNE-QHFMCZIYSA-N
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-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H20O4
Molecular Weight 264.3169
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q9FLB1
Gene ID: 830427.0
Gene Symbol: PYL5
Target Organism: Arabidopsis thaliana (Mouse-ear cress)
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:43:29 GMT 2023
Edited
by admin
on Sat Dec 16 09:43:29 GMT 2023
Record UNII
4F7961S98F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABSCISIC ACID, (-)-(2Z,4E)-
Common Name English
(-)-ABA
Common Name English
(R)-(-)-ABSCISIC ACID
Common Name English
PBI-145
Code English
ABSCISIC ACID (-)-CIS,TRANS-FORM [MI]
Common Name English
(-)-(R)-ABSCISIC ACID
Common Name English
(-)-(CIS,TRANS)-ABSCISIC ACID
Common Name English
2,4-PENTADIENOIC ACID, 5-((1R)-1-HYDROXY-2,6,6-TRIMETHYL-4-OXO-2-CYCLOHEXEN-1-YL)-3-METHYL-, (2Z,4E)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m1282
Created by admin on Sat Dec 16 09:43:29 GMT 2023 , Edited by admin on Sat Dec 16 09:43:29 GMT 2023
PRIMARY Merck Index
CAS
14398-53-9
Created by admin on Sat Dec 16 09:43:29 GMT 2023 , Edited by admin on Sat Dec 16 09:43:29 GMT 2023
PRIMARY
CHEBI
28937
Created by admin on Sat Dec 16 09:43:29 GMT 2023 , Edited by admin on Sat Dec 16 09:43:29 GMT 2023
PRIMARY
PUBCHEM
643732
Created by admin on Sat Dec 16 09:43:29 GMT 2023 , Edited by admin on Sat Dec 16 09:43:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID701033205
Created by admin on Sat Dec 16 09:43:29 GMT 2023 , Edited by admin on Sat Dec 16 09:43:29 GMT 2023
PRIMARY
FDA UNII
4F7961S98F
Created by admin on Sat Dec 16 09:43:29 GMT 2023 , Edited by admin on Sat Dec 16 09:43:29 GMT 2023
PRIMARY