General
Preferred name
Pyromucic Acid
Synonyms
Furan-2-carboxylic acid ()
2-Furoic acid ()
2-Furancarboxylic acid, Pyromucic acid, 2-Carboxyfuran, α-furancarboxylic acid, α-furoic acid ()
2-Furancarboxylic acid, Pyromucic acid, 2-Carboxyfuran, ??-furancarboxylic acid, ??-furoic acid ()
2-Furancarboxylic acid, Pyromucic acid, 2-Carboxyfuran, ¦Á-furancarboxylic acid, ¦Á-furoic acid ()
P&D ID
PD088360
CAS
88-14-2
26447-28-9
Tags
natural product
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()] ]]
[[ 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
34
Properties
(calculated by RDKit )
Molecular Weight
112.02
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.98
TPSA
50.44
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Metabolic Enzyme/Protease
Target
Antifection
Acyltransferase
ATP citrate lyase
Endogenous Metabolite
ATP-citrate lyase
Source data
