4-Epianhydrotetracycline (CED0020356)

Record Information
Version1.0
Creation Date2026-03-31 21:27:24 UTC
Update Date2026-05-20 19:30:20 UTC
Accession NumberCHEM058011
Identification
Common Name4-Epianhydrotetracycline
ClassSmall Molecule
Description
4-Epianhydrotetracycline belongs to the tetracyclines, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the formula C22H22N2O7 and an average molecular weight of 426.43 g/mol. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (Antibiotics). Recorded exposure routes for 4-Epianhydrotetracycline include inhalation and oral routes.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC22H22N2O7
Average Molecular Mass426.425 g/mol
Monoisotopic Mass426.143 g/mol
CAS Registry Number7518-17-4
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]12CC3=C(C)C4=CC=CC(O)=C4C(O)=C3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]2N(C)C
InChI IdentifierInChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16+,22-/m0/s1
InChI KeyCXCVEERYMJZMMM-WPINSWFRSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2304.0Log mg/kg[1300:4100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMultidrug transporter MdfAP0AEY8Escherichia coli K-12Predicted (SEA)0.544945
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)182.556
Click to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)122.223
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)746.73
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)82.2088
Tyrosine-protein phosphatase non-receptor type 7 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 7P35236HumansPredicted (SEA)616.877
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)82.1309
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)1633.12
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)5564.51
Click to view 3D structureProtein kinase C-like 1P43057Candida albicansPredicted (SEA)2.02408
Click to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)3559.34
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)4370.46
DNA repair protein RAD52 homolog structureClick to view 3D structureDNA repair protein RAD52 homologP43351HumansPredicted (SEA)35.8885
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)6508.35
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)5611.84
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)6673.94
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)6298.86
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)4352.24
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)2566.46
NAD-dependent protein deacylase sirtuin-5, mitochondrial structureClick to view 3D structureNAD-dependent protein deacylase sirtuin-5, mitochondrialQ9NXA8HumansPredicted (SEA)34.0201
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)2935.15
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)6097.0
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase structureClick to view 3D structureMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinaseQ99640HumansPredicted (SEA)2699.19
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7279.37
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)5253.42
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available