Anthramycin (CED0012972)

Record Information

Version

1.0

Creation Date

2026-03-31 20:52:56 UTC

Update Date

2026-05-14 20:15:56 UTC

SynCED ID

CED0012972

Secondary Accession Numbers

CHEM057903

Identification

Common Name

Anthramycin

Class

Small Molecule

Description

Anthramycin is an organic compound with the formula C16H17N3O4 and an average molecular weight of 315.33 g/mol. Anthramycin belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. It is categorized as an organoheterocyclic compound. This substance is found in or released from healthcare, pharmaceuticals, and veterinary products specifically used as antibiotics. Recorded exposure routes for the compound include inhalation and oral administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₁₇N₃O₄

Average Molecular Mass

315.329 g/mol

Monoisotopic Mass

315.122 g/mol

CAS Registry Number

4803-27-4;16397-13-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@@]12CC(\C=C\C(N)=O)=CN1C(=O)C1=C(N[C@@H]2O)C(O)=C(C)C=C1

InChI Identifier

InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+

InChI Key

VGQOVCHZGQWAOI-HWKANZROSA-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
2971.0 Log mg/kg [1700:5300]	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
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	PubChem

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	Thymidine phosphorylase	Q5FVR2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.213 Low confidence Statistical Significance 8.20e-04 Supporting Reference Compounds 1 E-value 6.38364
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.229 Low confidence Statistical Significance 0.3397 Supporting Reference Compounds 205 E-value 2644.93
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.229 Low confidence Statistical Significance 0.5366 Supporting Reference Compounds 425 E-value 4177.31
Click to view 3D structure	NS3	A3EZJ3	Hepatitis C virus	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.229 Low confidence Statistical Significance 0.1369 Supporting Reference Compounds 70 E-value 1066.07
Click to view 3D structure	17-beta-hydroxysteroid-dehydrogenase	O93874	Cochliobolus lunatus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.016 Supporting Reference Compounds 1 E-value 124.948
Click to view 3D structure	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Q99640	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.208 Low confidence Statistical Significance 0.3868 Supporting Reference Compounds 115 E-value 3011.36
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.217 Low confidence Statistical Significance 0.7738 Supporting Reference Compounds 553 E-value 6024.21
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.217 Low confidence Statistical Significance 0.6577 Supporting Reference Compounds 317 E-value 5120.14
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4	Q9Y237	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.197 Low confidence Statistical Significance 0.0126 Supporting Reference Compounds 1 E-value 98.09
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.198 Low confidence Statistical Significance 0.5786 Supporting Reference Compounds 407 E-value 4504.36
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.198 Low confidence Statistical Significance 0.3974 Supporting Reference Compounds 193 E-value 3093.73
Click to view 3D structure	Wee1-like protein kinase	P30291	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.2 Low confidence Statistical Significance 0.5556 Supporting Reference Compounds 162 E-value 4325.54
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.217 Low confidence Statistical Significance 0.7956 Supporting Reference Compounds 497 E-value 6194.0
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.198 Low confidence Statistical Significance 0.4975 Supporting Reference Compounds 242 E-value 3873.31
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.207 Low confidence Statistical Significance 0.9579 Supporting Reference Compounds 1245 E-value 7456.87
Click to view 3D structure	Stimulator of interferon genes protein	F1M391	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.192 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.2408
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.197 Low confidence Statistical Significance 0.6066 Supporting Reference Compounds 372 E-value 4722.33
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.197 Low confidence Statistical Significance 0.6681 Supporting Reference Compounds 472 E-value 5201.03
Click to view 3D structure	Carbonic anhydrase 13	Q8N1Q1	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.198 Low confidence Statistical Significance 0.2725 Supporting Reference Compounds 92 E-value 2121.24
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.217 Low confidence Statistical Significance 0.6733 Supporting Reference Compounds 257 E-value 5241.35
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.198 Low confidence Statistical Significance 0.36 Supporting Reference Compounds 151 E-value 2802.49
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.193 Low confidence Statistical Significance 0.8711 Supporting Reference Compounds 715 E-value 6781.52
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.207 Low confidence Statistical Significance 0.9548 Supporting Reference Compounds 1130 E-value 7433.12
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.203 Low confidence Statistical Significance 0.7353 Supporting Reference Compounds 307 E-value 5724.02
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.195 Low confidence Statistical Significance 0.9125 Supporting Reference Compounds 967 E-value 7103.82