3-amino-4,7-dihydroxychromen-2-one (CED0316139)

Record Information
Version1.0
Creation Date2026-09-01 17:17:19 UTC
Update Date2026-09-01 17:17:19 UTC
SynCED IDCED0316139
Secondary Accession Numbers
  • CHEM362102
Identification
Common Name3-amino-4,7-dihydroxychromen-2-one
ClassSmall Molecule
Description
3-amino-4,7-dihydroxychromen-2-one is a chemical compound with the formula C9H7NO4. It has an average molecular weight of 193.16 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H7NO4
Average Molecular MassNot Available
Monoisotopic Mass193.038 g/mol
CAS Registry Number22375-63-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC2=C(C=C1O)OC(=O)C(=C2O)N
InChI IdentifierInChI=1S/C9H7NO4/c10-7-8(12)5-2-1-4(11)3-6(5)14-9(7)13/h1-3,11-12H,10H2
InChI KeyQVNNPTBCHMRANE-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
2413.0 Log mg/kg [1400:4300]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.439
Applicability Domain
0.486
Statistical Significance
0.0034
Supporting Reference Compounds
372
E-value
26.3909
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.432
Applicability Domain
0.486
Statistical Significance
0.0034
Supporting Reference Compounds
332
E-value
26.1573
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.556
Statistical Significance
0.002
Supporting Reference Compounds
201
E-value
15.9591
Click to view 3D structure17-beta-hydroxysteroid dehydrogenase type 3P37058HumansPredicted (SEA)
Prediction Confidence Score
0.416
Applicability Domain
0.588
Statistical Significance
8.00e-05
Supporting Reference Compounds
11
E-value
0.622794
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.414
Applicability Domain
0.439
Statistical Significance
0.0061
Supporting Reference Compounds
472
E-value
47.7994
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
0.556
Statistical Significance
0.0014
Supporting Reference Compounds
174
E-value
10.821
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.402
Applicability Domain
0.439
Statistical Significance
0.0067
Supporting Reference Compounds
407
E-value
52.0811
Macrophage migration inhibitory factor structureClick to view 3D structureMacrophage migration inhibitory factorP14174HumansPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.439
Statistical Significance
1.40e-04
Supporting Reference Compounds
36
E-value
1.08989
Casein kinase II subunit alpha structureClick to view 3D structureCasein kinase II subunit alphaP68400HumansPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.556
Statistical Significance
0.0124
Supporting Reference Compounds
593
E-value
96.6887
NAD(P)H dehydrogenase [quinone] 1 structureClick to view 3D structureNAD(P)H dehydrogenase [quinone] 1P05982Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.375
Statistical Significance
1.30e-04
Supporting Reference Compounds
1
E-value
1.01204
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.556
Statistical Significance
0.0048
Supporting Reference Compounds
241
E-value
37.2119
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.371
Applicability Domain
0.442
Statistical Significance
0.0144
Supporting Reference Compounds
553
E-value
112.259
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.588
Statistical Significance
0.0015
Supporting Reference Compounds
66
E-value
12.0666
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.588
Statistical Significance
0.0017
Supporting Reference Compounds
77
E-value
13.4679
17-beta-hydroxysteroid dehydrogenase type 1 structureClick to view 3D structure17-beta-hydroxysteroid dehydrogenase type 1P14061HumansPredicted (SEA)
Prediction Confidence Score
0.365
Applicability Domain
0.439
Statistical Significance
9.90e-04
Supporting Reference Compounds
42
E-value
7.70707
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.463
Statistical Significance
0.0025
Supporting Reference Compounds
96
E-value
19.2288
Pyruvate kinase PKM structureClick to view 3D structurePyruvate kinase PKMP14618HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.442
Statistical Significance
5.80e-04
Supporting Reference Compounds
29
E-value
4.51525
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.361
Applicability Domain
0.429
Statistical Significance
0.0019
Supporting Reference Compounds
70
E-value
15.1027
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.462
Statistical Significance
0.0033
Supporting Reference Compounds
127
E-value
25.6124
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.442
Statistical Significance
0.0164
Supporting Reference Compounds
406
E-value
127.906
Click to view 3D structure3-oxoacyl-acyl-carrier protein reductaseQ965D6Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.442
Statistical Significance
6.70e-04
Supporting Reference Compounds
12
E-value
5.2159
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.439
Statistical Significance
0.0042
Supporting Reference Compounds
88
E-value
32.4631
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.439
Statistical Significance
0.0034
Supporting Reference Compounds
84
E-value
26.313
Poly [ADP-ribose] polymerase tankyrase-1 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-1O95271HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.419
Statistical Significance
0.0033
Supporting Reference Compounds
94
E-value
26.0016
Click to view 3D structurePolypeptide N-acetylgalactosaminyltransferase 1Q10472HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.341
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available