3-(2-Hydroxybenzoyl)propionic acid (CED0179209)

Record Information
Version1.0
Creation Date2026-04-04 00:17:51 UTC
Update Date2026-05-20 19:04:03 UTC
SynCED IDCED0179209
Secondary Accession Numbers
  • CHEM069593
Identification
Common Name3-(2-Hydroxybenzoyl)propionic acid
ClassSmall Molecule
Description
3-(2-Hydroxybenzoyl)propionic acid is an organic compound with the formula C10H10O4 and an average molecular weight of 194.19 g/mol. 3-(2-Hydroxybenzoyl)propionic acid belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is found in or released from one recorded source: indoor air, dust, and atmospheric transport. The recorded exposure route for this compound is inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H10O4
Average Molecular Mass194.186 g/mol
Monoisotopic Mass194.058 g/mol
CAS Registry Number39560-34-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC(=O)CCC(=O)C1=CC=CC=C1O
InChI IdentifierInChI=1S/C10H10O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,11H,5-6H2,(H,13,14)
InChI KeyQBQVEOIVSWQRDU-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2554.0 Log mg/kg [1400:4500]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.556
Statistical Significance
0.0099
Supporting Reference Compounds
472
E-value
76.8372
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.556
Statistical Significance
0.0108
Supporting Reference Compounds
407
E-value
84.2329
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.556
Statistical Significance
0.0101
Supporting Reference Compounds
332
E-value
78.472
HTH-type transcriptional regulator MgrA structureClick to view 3D structureHTH-type transcriptional regulator MgrAP0C1S0Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.343
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.556
Statistical Significance
1.70e-04
Supporting Reference Compounds
12
E-value
1.32344
Click to view 3D structureD-alanine--D-alanine ligaseQ47758Enterococcus faecalis (strain ATCC 700802 / V583)Predicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.375
Statistical Significance
3.40e-04
Supporting Reference Compounds
3
E-value
2.64687
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.351
Statistical Significance
0.0011
Supporting Reference Compounds
2
E-value
8.95266
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.375
Statistical Significance
0.011
Supporting Reference Compounds
425
E-value
85.3227
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.5
Statistical Significance
0.0049
Supporting Reference Compounds
56
E-value
37.9904
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.368
Statistical Significance
0.0227
Supporting Reference Compounds
315
E-value
176.64
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.5
Statistical Significance
0.0037
Supporting Reference Compounds
106
E-value
29.0378
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.556
Statistical Significance
0.0107
Supporting Reference Compounds
109
E-value
83.2208
Click to view 3D structureProstaglandin G/H synthase 2P79208Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.5
Statistical Significance
0.0023
Supporting Reference Compounds
50
E-value
18.2167
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.35
Statistical Significance
0.0057
Supporting Reference Compounds
78
E-value
44.0627
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.313
Statistical Significance
7.90e-04
Supporting Reference Compounds
40
E-value
6.15009
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.556
Statistical Significance
0.0077
Supporting Reference Compounds
78
E-value
60.3331
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.375
Statistical Significance
0.0351
Supporting Reference Compounds
372
E-value
273.251
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.467
Statistical Significance
0.0072
Supporting Reference Compounds
84
E-value
55.74
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.385
Statistical Significance
0.0428
Supporting Reference Compounds
406
E-value
333.273
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.316
Statistical Significance
0.0062
Supporting Reference Compounds
60
E-value
48.5001
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.297 Low confidence
Statistical Significance
5.70e-04
Supporting Reference Compounds
1
E-value
4.43741
Click to view 3D structureGlutamyl aminopeptidaseP16406Mus musculusPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.48557
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.324
Statistical Significance
0.0116
Supporting Reference Compounds
136
E-value
90.0715
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.316
Statistical Significance
0.0089
Supporting Reference Compounds
68
E-value
69.5194
Hepatocyte nuclear factor 4-alpha structureClick to view 3D structureHepatocyte nuclear factor 4-alphaP41235HumansPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.371
Statistical Significance
0.001
Supporting Reference Compounds
37
E-value
7.94062
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available