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8′-Hydroxy ABA

CAT: 0013-GTR19220736-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220736-01Size:50 mg
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Description
8′-Hydroxy ABA (8'-OH-ABA) is a biologically active metabolite of abscisic acid (ABA) known to stimulate increased oil biosynthesis. This labile compound is a valuable research tool for studying ABA signaling, lipid metabolism, and plant physiology in both in vivo and in vitro experimental systems.
CAS Number
77209-34-8
Field of Research
Metabolism Research
Smiles
C (=C/C (=C\C (O) =O) /C) \[C@]1 (O) [C@] (CO) (C) CC (=O) C=C1C
Molecular Formula
C15H20O5
Molecular Weight
280.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-8'-Hydroxyabscisic acid

(+)-8'-hydroxyabscisic acid is the 8'-hydroxylated derivative of (+)-abscisic acid. It is functionally related to a 2-cis-abscisic acid. It is a conjugate acid of a (+)-8'-hydroxyabscisate.

CAS Number77209-34-8
PubChem CID11954194
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
Molecular FormulaC15H20O5
Molecular Weight280.32
XLogP0.9
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity514
SMILES
CC1=CC(=O)C[C@]([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)CO
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
InChIKey
AVFORCKFTWHFAR-ZSIFGTMLSA-N
Chemical Structure
2D Structure
2D structure of (+)-8'-Hydroxyabscisic acid
CAS: 77209-34-8
CID: 11954194
Formula: C15H20O5
MW: 280.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.32
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass280.13107373
Monoisotopic Mass280.13107373
Topological Polar Surface Area94.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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