General
Preferred name
Homocatechol
Synonyms
p-Methylcatechol ()
3,4-Dihydroxytoluene ()
4-methylbenzene-1,2-diol ()
4-Methylcatechol ()
4-Methyl-1,2-Benzenediol ()
P-Methylcatechol, 3,4-Dihydroxytoluene, Homocatechol ()
P&D ID
PD006950
CAS
452-86-8
Tags
drug candidate
natural product
available
Drug Status
experimental
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
5
Cayman Chemical Bioactives
DrugBank
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
124.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
1.41
TPSA
40.46
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Catechol 2,3-Dioxygenase
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data
