Concanamycin A (CED0006232)

Record Information
Version1.0
Creation Date2026-03-31 20:45:20 UTC
Update Date2026-08-22 14:59:02 UTC
Accession NumberCHEM057833
Identification
Common NameConcanamycin A
ClassSmall Molecule
Description
Concanamycin A belongs to the macrolides and analogues, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 866.10 g/mol, Concanamycin A is a heavy molecule. Its chemical formula is C46H75N1O14. This compound is found in healthcare, pharmaceuticals, and veterinary products as an antibiotic. Recorded exposure routes for the substance include inhalation and oral administration. In terms of biological activity, Concanamycin A acts as an inhibitor of the protein target ATP-dependent translocase ABCB1.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC46H75N1O14
Average Molecular Mass866.099 g/mol
Monoisotopic Mass865.519 g/mol
CAS Registry Number80890-47-7
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]1(OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C
InChI IdentifierInChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1
InChI KeyDJZCTUVALDDONK-HQMSUKCRSA-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 ValuesNot 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
V-type proton ATPase subunit S1 structureClick to view 3D structureV-type proton ATPase subunit S1Q15904HumansPredicted (SEA)0.155698
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)290.066
Click to view 3D structureATP synthase subunit beta, mitochondrialP00830Saccharomyces cerevisiae S288cPredicted (SEA)0.155698
Click to view 3D structureEndoplasminP41148Canis lupus familiarisPredicted (SEA)11.2103
Click to view 3D structureAdenosinetriphosphataseQ9I8A2Gallus gallusPredicted (SEA)0.233548
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)164.106
Heat shock protein HSP 90-beta structureClick to view 3D structureHeat shock protein HSP 90-betaP08238HumansPredicted (SEA)11.2103
P2X purinoceptor 3 structureClick to view 3D structureP2X purinoceptor 3P56373HumansPredicted (SEA)132.966
DIS3-like exonuclease 2 structureClick to view 3D structureDIS3-like exonuclease 2Q8IYB7HumansPredicted (SEA)0.700643
Click to view 3D structureV-type proton ATPase subunit CQ9U5N1Manduca sextaPredicted (SEA)0.311397
Click to view 3D structureActin, alpha skeletal muscleP68135Oryctolagus cuniculusPredicted (SEA)0.311397
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)5296.86
Click to view 3D structureNeurogenic locus notch homolog protein 1Q01705Mus musculusPredicted (SEA)6.22794
DNA topoisomerase 2-alpha structureClick to view 3D structureDNA topoisomerase 2-alphaP11388HumansPredicted (SEA)154.764
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)4118.46
Lysine-specific demethylase 4C structureClick to view 3D structureLysine-specific demethylase 4CQ9H3R0HumansPredicted (SEA)1552.31
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)3110.85
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)1286.38
Lysine-specific demethylase 4B structureClick to view 3D structureLysine-specific demethylase 4BO94953HumansPredicted (SEA)340.98
Lysine-specific demethylase 5A structureClick to view 3D structureLysine-specific demethylase 5AP29375HumansPredicted (SEA)999.74
Lysine-specific demethylase 6B structureClick to view 3D structureLysine-specific demethylase 6BO15054HumansPredicted (SEA)744.316
DNA-directed RNA polymerase subunit beta structureClick to view 3D structureDNA-directed RNA polymerase subunit betaP9WGY9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)1.08989
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7430.09
Solute carrier organic anion transporter family member 1B3 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B3Q9NPD5HumansPredicted (SEA)938.083
Click to view 3D structureMotilin receptorA5A4K8Oryctolagus cuniculusPredicted (SEA)1.40129
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available