Ascochlorin (CED0012209)

Record Information
Version1.0
Creation Date2026-03-31 20:50:05 UTC
Update Date2026-08-22 01:13:19 UTC
Accession NumberCHEM057879
Identification
Common NameAscochlorin
ClassSmall Molecule
Description
Ascochlorin is an organic compound with the formula C23H29Cl1O4 and an average molecular weight of 404.90 g/mol. Ascochlorin 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: healthcare, pharmaceuticals & veterinary products (Antibiotics). Recorded exposure routes for the compound include inhalation and oral administration.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC23H29Cl1O4
Average Molecular Mass404.900 g/mol
Monoisotopic Mass404.175 g/mol
CAS Registry Number26166-39-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1
InChI KeySETVRSKZJJWOPA-FLDGXQSCSA-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
576.0Log mg/kg[320:1000]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
Alternative oxidase, mitochondrial structureClick to view 3D structureAlternative oxidase, mitochondrialQ26710Trypanosoma brucei bruceiPredicted (SEA)2.41333
Secretory phospholipase A2 receptor structureClick to view 3D structureSecretory phospholipase A2 receptorQ13018HumansPredicted (SEA)0.700643
Dihydroorotate dehydrogenase (quinone), mitochondrial structureClick to view 3D structureDihydroorotate dehydrogenase (quinone), mitochondrialQ02127HumansPredicted (SEA)1076.65
Click to view 3D structure4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5Q11128HumansPredicted (SEA)4.82665
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)2937.33
Click to view 3D structureSialidaseP10481Clostridium perfringensPredicted (SEA)79.017
Serine/threonine-protein kinase/endoribonuclease IRE1 structureClick to view 3D structureSerine/threonine-protein kinase/endoribonuclease IRE1Q9EQY0Mus musculusPredicted (SEA)151.65
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)5849.98
3-oxoacyl-[acyl-carrier-protein] synthase 2 structureClick to view 3D structure3-oxoacyl-[acyl-carrier-protein] synthase 2P9WQD7Mycobacterium tuberculosisPredicted (SEA)0.934191
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)5346.68
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)4922.02
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)5076.7
Mediator of RNA polymerase II transcription subunit 25 structureClick to view 3D structureMediator of RNA polymerase II transcription subunit 25Q71SY5HumansPredicted (SEA)13.935
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)3656.89
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)3065.47
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)5287.36
3',5'-cyclic-AMP phosphodiesterase 4D structureClick to view 3D structure3',5'-cyclic-AMP phosphodiesterase 4DQ08499HumansPredicted (SEA)6424.04
Elongation factor 2 structureClick to view 3D structureElongation factor 2P58252Mus musculusPredicted (SEA)69.1301
Click to view 3D structureSerine palmitoyltransferase small subunit BQ8NFR3HumansPredicted (SEA)6.69503
Thioredoxin, mitochondrial structureClick to view 3D structureThioredoxin, mitochondrialQ99757HumansPredicted (SEA)6.69503
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)7499.6
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)7595.98
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)7495.17
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)7566.94
Focal adhesion kinase 1 structureClick to view 3D structureFocal adhesion kinase 1Q05397HumansPredicted (SEA)7418.49
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available