ChEBI logo

ChEBI


    The database and ontology of Chemical Entities of Biological Interest

spacer

catechol (CHEBI:18135)

Search for only All in ChEBI

Main     ChEBI Ontology     Automatic Xrefs      
ChEBI Name catechol
ChEBI ID CHEBI:18135
Definition A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3467, CHEBI:13950, CHEBI:23054, CHEBI:41441, CHEBI:135158
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula Source
C6H6O2 KEGG COMPOUND
Net Charge 0
Average Mass 110.11064
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey
YCIMNLLNPGFGHC-UHFFFAOYSA-N
SMILES
Oc1ccccc1O
Roles Classification
Biological Role(s): genotoxin
A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
allelochemical
A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing catechol (CHEBI:18135) has role allelochemical (CHEBI:62215)
catechol (CHEBI:18135) has role genotoxin (CHEBI:50902)
catechol (CHEBI:18135) has role plant metabolite (CHEBI:76924)
catechol (CHEBI:18135) is a benzenediol (CHEBI:17701)
catechol (CHEBI:18135) is a catechols (CHEBI:33566)
catechol (CHEBI:18135) is conjugate acid of catecholate(1−) (CHEBI:50524)
Incoming 2-isopropoxy-4-propenylphenol (CHEBI:59086) has functional parent catechol (CHEBI:18135)
4-allyl-2-isopropoxyphenol (CHEBI:59075) has functional parent catechol (CHEBI:18135)
guaiacol (CHEBI:28591) has functional parent catechol (CHEBI:18135)
pyrocatechol sulfate (CHEBI:68505) has functional parent catechol (CHEBI:18135)
aspalathin (CHEBI:79078) is a catechol (CHEBI:18135)
droxidopa (CHEBI:31524) is a catechol (CHEBI:18135)
catecholate(1−) (CHEBI:50524) is conjugate base of catechol (CHEBI:18135)
IUPAC Name
benzene-1,2-diol
Synonyms Sources
1,2-Benzenediol KEGG COMPOUND
1,2-Dihydroxybenzene KEGG COMPOUND
2-hydroxyphenol ChEBI
α-hydroxyphenol ChEBI
Brenzcatechin KEGG COMPOUND
catechol UniProt
Catechol KEGG COMPOUND
o-Benzenediol KEGG COMPOUND
o-hydroxyphenol NIST Chemistry WebBook
pyrocatechin ChEBI
Pyrocatechol KEGG COMPOUND
Database Links Databases
C00002644 KNApSAcK
C00090 KEGG COMPOUND
c0097 UM-BBD
C01785 KEGG COMPOUND
C15571 KEGG COMPOUND
CAQ PDBeChem
Catechol Wikipedia
CATECHOL MetaCyc
DB02232 DrugBank
HMDB00957 HMDB
View more database links
Registry Numbers Types Sources
120-80-9 CAS Registry Number KEGG COMPOUND
120-80-9 CAS Registry Number NIST Chemistry WebBook
120-80-9 CAS Registry Number ChemIDplus
12385-08-9 CAS Registry Number KEGG COMPOUND
2936 Gmelin Registry Number Gmelin
471401 Beilstein Registry Number Beilstein
471401 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10651166 PubMed citation CiteXplore
11470755 PubMed citation CiteXplore
15951152 PubMed citation CiteXplore
16610220 PubMed citation CiteXplore
Last Modified
28 July 2014

spacer
spacer