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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:4-nitrocatechol
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Accession:CHEBI:16318 term browser browse the term
Definition:A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol.
Synonyms:related_synonym: 1,2-Dihydroxy-4-nitrobenzene;   4-Nitropyrocatechol;   4-nitrobenzene-1,2-diol;   Formula=C6H5NO4;   InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H;   InChIKey=XJNPNXSISMKQEX-UHFFFAOYSA-N;   SMILES=C1(=CC=C(C=C1O)[N+]([O-])=O)O
 alt_id: CHEBI:12033;   CHEBI:1912;   CHEBI:20456;   CHEBI:40103
 xref: CAS:3316-09-4;   DrugBank:DB03407;   HMDB:HMDB0002916;   KEGG:C02235
 xref_mesh: MESH:C001833
 xref: MetaCyc:CPD-158;   PDBeChem:4NC;   PMID:14993710;   PMID:20854995;   PMID:8214571;   PMID:8267647;   Reaxys:1867508;   UM-BBD_compID:c0263
 cyclic_relationship: is_conjugate_acid_of CHEBI:57730


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4-nitrocatechol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Comt catechol-O-methyltransferase increases methylation EXP
ISO
COMT protein results in increased methylation of 4-nitrocatechol CTD PMID:11160877 NCBI chr11:86,715,981...86,735,630
Ensembl chr11:86,715,981...86,735,622
JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 increases chemical synthesis
multiple interactions
EXP
ISO
CYP2E1 protein results in increased chemical synthesis of 4-nitrocatechol
[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol; notopterol inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]
[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol; daidzein inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]; isobavachalcone inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]; neobavaisoflavone inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]; psoralidin inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]
CTD PMID:31870919, PMID:32198085 NCBI chr 1:213,511,892...213,522,195
Ensembl chr 1:213,511,874...213,535,542
JBrowse link
2-hydroxy-5-nitrophenyl hydrogen sulfate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Sts steroid sulfatase decreases activity ISO 4-nitrocatechol sulfate results in decreased activity of STS protein CTD PMID:6874424 NCBI chr  X:45,420,418...45,428,748
Ensembl chr  X:45,420,596...45,428,750
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        biochemical role 19281
          metabolite 19262
            xenobiotic metabolite 14041
              human xenobiotic metabolite 13294
                4-nitrocatechol 3
                  2-hydroxy-5-nitrophenyl hydrogen sulfate 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic molecule 19486
                              organic cyclic compound 19282
                                organic aromatic compound 19116
                                  phenols 18109
                                    benzenediols 6019
                                      catechols 3157
                                        4-nitrocatechol 3
                                          2-hydroxy-5-nitrophenyl hydrogen sulfate 1
paths to the root

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