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Chemical structure of Auxinole

GC30028

Auxinole

Also known as 4-(2,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid

Auxinole is a potent auxin antagonist of TIR1/AFB receptors, binding TIR1 to block the formation of the TIR1-IAA-Aux/IAA complex and so inhibits auxin-responsive gene expression

ChemicalCAS86445-22-9MW321.37FormulaC20H19NO3
CAS number
86445-22-9
Molecular weight
321.37
Formula
C20H19NO3
Solubility
DMSO ： ≥ 125 mg/mL (388·96 mM);Ethanol ： 12·5 mg/mL (38·90 mM)
InChIKey
HGUYAIJBXSQXGV-UHFFFAOYSA-N
Catalogue number
GC30028
Brand
GLPBIO
Computed properties PubChem CID 13077496 · XLogP 3.6 · TPSA 70.2 Ų · H-bond donors 2
XLogP
3.6
TPSA
70.2 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24

SMILES CC1=CC(=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O)C

Computed descriptors from PubChem (CID 13077496), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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