2,3-Dimethoxy-5,6-dimethyl-p-benzoquinone (CED0059776)

Record Information

Version

1.0

Creation Date

2026-03-31 20:52:44 UTC

Update Date

2026-05-20 19:28:42 UTC

Accession Number

CHEM057901

Identification

Common Name

2,3-Dimethoxy-5,6-dimethyl-p-benzoquinone

Class

Small Molecule

Description

2,3-Dimethoxy-5,6-dimethyl-p-benzoquinone belongs to the quinone and hydroquinone lipids, a subclass of prenol lipids within the organic compounds. This compound has the formula C10H12O4 and an average molecular weight of 196.20 g/mol. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (antibiotics). Recorded exposure routes for this substance include inhalation and oral administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₂O₄

Average Molecular Mass

196.202 g/mol

Monoisotopic Mass

196.074 g/mol

CAS Registry Number

483-54-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=C(OC)C(=O)C(C)=C(C)C1=O

InChI Identifier

InChI=1S/C10H12O4/c1-5-6(2)8(12)10(14-4)9(13-3)7(5)11/h1-4H3

InChI Key

NOYQJVWDVBANHI-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2050.0	Log mg/kg	[1200:3600]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
306	Antibiotics	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

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	NAD-dependent protein deacetylase	T1VXA1	Schistosoma mansoni	Predicted (SEA)	0.233548
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	43.2063
Click to view 3D structure	Genome polyprotein	P29990	dengue virus type 2	Predicted (SEA)	97.1558
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	382.162
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	4623.08
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	4544.14
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	3430.66
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	4265.59
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	1342.43
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	1087.55
Click to view 3D structure	DNA (cytosine-5)-methyltransferase 1	P26358	Humans	Predicted (SEA)	855.252
Click to view 3D structure	Endochitinase A1	Q873Y0	Aspergillus fumigatus	Predicted (SEA)	42.8171
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	836.723
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	2302.0
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	2305.66
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	1087.09
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	2788.95
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	1731.13
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	3014.4
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	2380.55
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	1722.02
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	3695.19
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	3304.62
Click to view 3D structure	Cysteine protease ATG4B	Q9Y4P1	Humans	Predicted (SEA)	789.158
Click to view 3D structure	Hexokinase HKDC1	Q2TB90	Humans	Predicted (SEA)	862.959