General
Preferred name
Cyclohexanecarboxylic Acid
Synonyms
Hexahydrobenzoic acid ()
P&D ID
PD124012
CAS
98-89-5
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Cyclohexanecarboxylic acid is a Valproate structural analogue. Cyclohexanecarboxylic acid is an essential intermediate for the aromatization of Shikimic acid (HY-N0130) by mammals. Cyclohexanecarboxylic acid has anticonvulsant action[1][2][3].
PRICE
350
DESCRIPTION
Cyclohexanecarboxylic acid is a flavouring ingredien
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Molecular Weight
128.08
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
1.65
TPSA
37.3
Fraction CSP3
0.86
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Drug intermediate
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data
