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JA-ACC

CAT: 0013-GTR19218341-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218341-01Size:5 mg
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Description
Jasmonyl-ACC (JA-ACC) is a conjugated metabolite derived from the ethylene precursor ACC. It functions as a root growth inhibitor in Arabidopsis through a mechanism distinct from canonical jasmonic acid signaling. This small molecule is a valuable research tool for studying plant hormone crosstalk and ethylene biosynthesis regulation in both in vivo and in vitro systems.
CAS Number
371778-55-1
Smiles
N (C (CC1C (C/C=C\CC) C (=O) CC1) =O) C2 (C (O) =O) CC2
Molecular Formula
C16H23NO4
Molecular Weight
293.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AC1Nuzko
CAS Number371778-55-1
PubChem CID5497153
IUPAC Name1-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]cyclopropane-1-carboxylic acid
Molecular FormulaC16H23NO4
Molecular Weight293.36
XLogP1.3
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity465
SMILES
CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)NC2(CC2)C(=O)O
InChI
InChI=1S/C16H23NO4/c1-2-3-4-5-12-11(6-7-13(12)18)10-14(19)17-16(8-9-16)15(20)21/h3-4,11-12H,2,5-10H2,1H3,(H,17,19)(H,20,21)/b4-3-/t11-,12-/m1/s1
InChIKey
TVRBFBSVUYCAKT-OPVGQWETSA-N
Chemical Structure
2D Structure
2D structure of AC1Nuzko
CAS: 371778-55-1
CID: 5497153
Formula: C16H23NO4
MW: 293.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.36
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass293.16270821
Monoisotopic Mass293.16270821
Topological Polar Surface Area83.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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