Ochratoxin alpha (CED0013379)

Record Information

Version

1.0

Creation Date

2026-04-06 17:02:29 UTC

Update Date

2026-08-18 15:02:14 UTC

SynCED ID

CED0013379

Secondary Accession Numbers

CHEM128015

Identification

Common Name

Ochratoxin alpha

Class

Small Molecule

Description

Ochratoxin alpha belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C11H9ClO5 and an average molecular weight of 256.64 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₉ClO₅

Average Molecular Mass

256.640 g/mol

Monoisotopic Mass

256.014 g/mol

CAS Registry Number

19165-63-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C11H9ClO5/c1-4-2-5-7(12)3-6(10(14)15)9(13)8(5)11(16)17-4/h3-4,13H,2H2,1H3,(H,14,15)/t4-/m1/s1

InChI Key

OSFWJKYWJMZKSM-SCSAIBSYSA-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

nephrotoxin (PMC239569 )?A chemical substance that interferes with the normal functioning of the kidneys
toxin (PMC12382378 )?A chemical substance naturally produced by an organism and poisonous to other organisms
mycotoxin (PMC6960266 , PMC11620267 )?A chemical substance naturally produced by fungi and poisonous to other organisms

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
3453.0 Log mg/kg [1900:6100]	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
cancer	Associated With?	Not Available	Cancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.	PMC6138766
kidney disease	Associated With?	increase	A urinary system disease that is located in the kidney. (DO)	PMC8874403
kidney disease	Associated With?	Not Available	A urinary system disease that is located in the kidney. (DO)	PMC6354945
disease	Associated With?	Not Available	Not Available	PMC9239846
Toxic encephalopathy	Associated With?	Not Available	Not Available	PMC7828551
Death	Associated With?	Not Available	Not Available	PMC9239846
acute kidney injury	Associated With?	Not Available	Not Available	PMC8228748
Reactive Oxygen Species	Associated With?	increase	Not Available	PMC10798145

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs00749	Corn	Agriculture & land management	PMC6138766
CEDs00751	Feed	Agriculture & land management	PMC7705057
CEDs00755	Maize	Agriculture & land management	PMC7068566
CEDs00775	Feeds	Agriculture & land management	PMC6354945
CEDs00823	Sorghum	Agriculture & land management	PMC6970494
CEDs00913	Soil-plant Systems	Agriculture & land management	PMC9096872
CEDs01144	Food	Food, food processing & cookware	PMC9147554
CEDs01147	Beer	Food, food processing & cookware	PMC7074356
CEDs01148	Milk	Food, food processing & cookware	PMC7074356
CEDs01151	Fruits	Food, food processing & cookware	PMC11435247
CEDs01160	Cereals	Food, food processing & cookware	PMC6960266 , PMC6138766
CEDs01171	Meat	Food, food processing & cookware	PMC7074356
CEDs01189	Chocolate	Food, food processing & cookware	PMC7074356
CEDs01191	Coffee	Food, food processing & cookware	PMC7074356
CEDs01231	Wines	Food, food processing & cookware	PMC7074356
CEDs01243	Alcoholic Beverages	Food, food processing & cookware	PMC7074356

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	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.308 Statistical Significance 0.149 Supporting Reference Compounds 1660 E-value 1160.03
Click to view 3D structure	Platelet-derived growth factor receptor alpha	P16234	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.308 Statistical Significance 0.0693 Supporting Reference Compounds 519 E-value 539.339
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.302 Statistical Significance 0.0917 Supporting Reference Compounds 763 E-value 713.644
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.308 Statistical Significance 0.1412 Supporting Reference Compounds 1274 E-value 1099.23
Click to view 3D structure	Vascular endothelial growth factor receptor 3	P35916	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.308 Statistical Significance 0.0867 Supporting Reference Compounds 687 E-value 674.797
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.302 Statistical Significance 0.1124 Supporting Reference Compounds 905 E-value 874.792
Click to view 3D structure	ALK tyrosine kinase receptor	Q9UM73	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.302 Statistical Significance 0.1089 Supporting Reference Compounds 708 E-value 847.467
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.333 Statistical Significance 0.0165 Supporting Reference Compounds 174 E-value 128.451
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.302 Statistical Significance 0.1788 Supporting Reference Compounds 1130 E-value 1392.18
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.302 Statistical Significance 0.1348 Supporting Reference Compounds 657 E-value 1049.33
Click to view 3D structure	MAP kinase-interacting serine/threonine-protein kinase 2	Q9HBH9	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.302 Statistical Significance 0.1218 Supporting Reference Compounds 550 E-value 948.203
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase receptor Ret	P07949	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.302 Statistical Significance 0.1568 Supporting Reference Compounds 764 E-value 1220.91
Click to view 3D structure	Ephrin type-B receptor 4	P54760	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.302 Statistical Significance 0.0578 Supporting Reference Compounds 259 E-value 450.28
Click to view 3D structure	Tyrosine-protein kinase receptor UFO	P30530	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.299 Low confidence Statistical Significance 0.1055 Supporting Reference Compounds 475 E-value 821.699
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.299 Low confidence Statistical Significance 0.1925 Supporting Reference Compounds 934 E-value 1498.68
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.291 Low confidence Statistical Significance 0.0683 Supporting Reference Compounds 372 E-value 531.477
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.291 Low confidence Statistical Significance 0.0607 Supporting Reference Compounds 332 E-value 472.545
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.291 Low confidence Statistical Significance 0.031 Supporting Reference Compounds 172 E-value 241.41
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.291 Low confidence Statistical Significance 0.0731 Supporting Reference Compounds 407 E-value 569.311
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.291 Low confidence Statistical Significance 0.0316 Supporting Reference Compounds 165 E-value 245.926
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.299 Low confidence Statistical Significance 0.2427 Supporting Reference Compounds 1157 E-value 1889.48
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.291 Low confidence Statistical Significance 0.0142 Supporting Reference Compounds 78 E-value 110.312
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.299 Low confidence Statistical Significance 0.1989 Supporting Reference Compounds 785 E-value 1548.58
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.291 Low confidence Statistical Significance 0.0136 Supporting Reference Compounds 70 E-value 106.108
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.344 Statistical Significance 0.05 Supporting Reference Compounds 201 E-value 389.246