[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-26-[(e)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate (CED0095049)

Record Information
Version1.0
Creation Date2026-08-22 15:02:07 UTC
Update Date2026-08-22 15:02:07 UTC
Accession NumberCHEM216871
Identification
Common Name[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-26-[(e)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
ClassSmall Molecule
Description
[(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-26-[(e)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate belongs to the macrolactams, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 877.00 g/mol, [(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-26-[(e)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate is a heavy molecule. It has the chemical formula C47H64N4O12. This compound is found in or released from one recorded source: Electrical & Electronic Equipment (Antennas).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC47H64N4O12
Average Molecular Mass877.000 g/mol
Monoisotopic Mass876.452 g/mol
CAS Registry Number61379-65-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1
InChI KeyWDZCUPBHRAEYDL-GZAUEHORSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0aor-0300000190-d118c1ac8e3c60e6452bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014l-2100002290-b441d6ad4afc88a62624Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014l-9700006020-ee8161658ea49259d168Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0100001290-6aa51e29ae4edc2dea4fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-066r-2500003190-ac076b0cb13b991b003aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-9200008320-465071920392bca6a779Not AvailableView Spectrum
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
70Stormwater runoffAutomotive & urban infrastructureNot Available
506AntennasElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
632ApparelTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
671Airplanes And HelicoptersAviation & AerospaceNot Available
673Unmanned Aerial VehiclesAviation & AerospaceNot Available
685CeramicsBuilding & ConstructionNot Available
696NanotechnologyIndustrial manufacturing & chemical processingNot Available
698JewelleryMining & metal processingNot Available
727Printing Machines Or PressesPaper, pulp & fiber productsNot Available
739InksPaper, pulp & fiber productsNot Available
741Pigment PastesPaper, pulp & fiber productsNot Available
744Water, Wastewater, & Sewage TreatmentWastewater, sanitation & biosolidsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSolute carrier organic anion transporter family member 2B1O94956HumansPredicted (SEA)360.987
Click to view 3D structureSolute carrier organic anion transporter family member 1A1P46720Rattus norvegicusPredicted (SEA)26.7023
Enoyl-[acyl-carrier-protein] reductase [NADH] structureClick to view 3D structureEnoyl-[acyl-carrier-protein] reductase [NADH]P9WGR1Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)6.69503
V-type proton ATPase subunit S1 structureClick to view 3D structureV-type proton ATPase subunit S1Q15904HumansPredicted (SEA)0.389246
Endoplasmin structureClick to view 3D structureEndoplasminP41148Canis lupus familiarisPredicted (SEA)96.2216
Actin, alpha skeletal muscle structureClick to view 3D structureActin, alpha skeletal muscleP68135Oryctolagus cuniculusPredicted (SEA)0.389246
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)3029.04
Heat shock protein HSP 90-beta structureClick to view 3D structureHeat shock protein HSP 90-betaP08238HumansPredicted (SEA)709.596
Click to view 3D structureDNA topoisomerase 2P15348Drosophila melanogasterPredicted (SEA)26.3909
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)6845.28
DNA-directed RNA polymerase subunit beta structureClick to view 3D structureDNA-directed RNA polymerase subunit betaP9WGY9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)0.155698
Click to view 3D structureGag-Pol polyproteinP03359Woolly monkey sarcoma virusPredicted (SEA)0.233548
DNA polymerase beta structureClick to view 3D structureDNA polymerase betaQ8K409Mus musculusPredicted (SEA)0.233548
Click to view 3D structureDNA-directed RNA polymerase subunit betaB7UPE2Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)0.233548
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansPredicted (SEA)5.99439
Solute carrier organic anion transporter family member 1B3 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B3Q9NPD5HumansPredicted (SEA)5.29375
Click to view 3D structureSolute carrier organic anion transporter family member 1A4O35913Rattus norvegicusPredicted (SEA)0.155698
NH(3)-dependent NAD(+) synthetase structureClick to view 3D structureNH(3)-dependent NAD(+) synthetaseP08164Bacillus subtilis (strain 168)Predicted (SEA)0.934191
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)86.6462
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)88.7481
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)199.294
Polyunsaturated fatty acid lipoxygenase ALOX15 structureClick to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)62.2794
Caspase-1 structureClick to view 3D structureCaspase-1P29466HumansPredicted (SEA)248.028
Click to view 3D structureBile salt export pumpO70127Rattus norvegicusPredicted (SEA)2.33548
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)79.7176
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available