Amicoumacin A (CED0018081)

Record Information

Version

1.0

Creation Date

2026-03-31 20:58:27 UTC

Update Date

2026-05-20 19:29:03 UTC

SynCED ID

CED0018081

Secondary Accession Numbers

CHEM057927

Identification

Common Name

Amicoumacin A

Class

Small Molecule

Description

Amicoumacin A is a compound with the formula C20H29N3O7. Amicoumacin A belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (Antibiotics). Recorded exposure routes for this substance include oral and inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₂₉N₃O₇

Average Molecular Mass

Not Available

Monoisotopic Mass

423.201 g/mol

CAS Registry Number

78654-44-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C20H29N3O7/c1-9(2)6-12(23-19(28)18(27)17(26)11(21)8-15(22)25)14-7-10-4-3-5-13(24)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,24,26-27H,6-8,21H2,1-2H3,(H2,22,25)(H,23,28)

InChI Key

DCPWYLSPIAHJFU-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3588.0 Log mg/kg [2000:6400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000306	Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Cytosol aminopeptidase	P00727	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.247 Low confidence Statistical Significance 0.0209 Supporting Reference Compounds 1 E-value 162.627
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.259 Low confidence Statistical Significance 0.0396 Supporting Reference Compounds 18 E-value 308.127
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.238 Low confidence Statistical Significance 0.5201 Supporting Reference Compounds 1103 E-value 4048.86
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.238 Low confidence Statistical Significance 0.4956 Supporting Reference Compounds 953 E-value 3858.6
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.238 Low confidence Statistical Significance 0.3206 Supporting Reference Compounds 425 E-value 2495.69
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.238 Low confidence Statistical Significance 0.3326 Supporting Reference Compounds 528 E-value 2589.58
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.238 Low confidence Statistical Significance 0.1618 Supporting Reference Compounds 206 E-value 1259.37
Click to view 3D structure	Kappa-type opioid receptor	P41145	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.231 Low confidence Statistical Significance 0.4522 Supporting Reference Compounds 532 E-value 3520.5
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.231 Low confidence Statistical Significance 0.4222 Supporting Reference Compounds 527 E-value 3287.03
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.231 Low confidence Statistical Significance 0.3402 Supporting Reference Compounds 427 E-value 2648.82
Click to view 3D structure	Delta-type opioid receptor	P32300	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.231 Low confidence Statistical Significance 0.1003 Supporting Reference Compounds 166 E-value 780.672
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.231 Low confidence Statistical Significance 0.1514 Supporting Reference Compounds 199 E-value 1178.79
Click to view 3D structure	Mu-type opioid receptor	P42866	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.231 Low confidence Statistical Significance 0.0859 Supporting Reference Compounds 107 E-value 668.491
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.238 Low confidence Statistical Significance 0.3979 Supporting Reference Compounds 541 E-value 3097.31
Click to view 3D structure	Mu-type opioid receptor	P97266	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.231 Low confidence Statistical Significance 0.1361 Supporting Reference Compounds 186 E-value 1059.45
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.231 Low confidence Statistical Significance 0.1625 Supporting Reference Compounds 229 E-value 1264.82
Click to view 3D structure	Delta-type opioid receptor	P33533	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.229 Low confidence Statistical Significance 0.1446 Supporting Reference Compounds 164 E-value 1125.86
Click to view 3D structure	Aminopeptidase B	O09175	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.259 Low confidence Statistical Significance 0.0201 Supporting Reference Compounds 8 E-value 156.477
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.238 Low confidence Statistical Significance 0.5791 Supporting Reference Compounds 861 E-value 4508.09
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.247 Low confidence Statistical Significance 0.755 Supporting Reference Compounds 1660 E-value 5877.93
Click to view 3D structure	Kappa-type opioid receptor	P33534	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.231 Low confidence Statistical Significance 0.0644 Supporting Reference Compounds 61 E-value 501.505
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.247 Low confidence Statistical Significance 0.561 Supporting Reference Compounds 519 E-value 4367.11
Click to view 3D structure	Kappa-type opioid receptor	P34975	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.231 Low confidence Statistical Significance 0.0976 Supporting Reference Compounds 66 E-value 759.653
Click to view 3D structure	Aminopeptidase N	P15145	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.247 Low confidence Statistical Significance 0.07 Supporting Reference Compounds 40 E-value 545.022
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.247 Low confidence Statistical Significance 0.0883 Supporting Reference Compounds 42 E-value 687.486