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CHEBI:2755 - anthragallol

ChEBI IDCHEBI:2755
ChEBI Nameanthragallol
Stars
DefinitionA trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 2 and 3.
Last Modified9 February 2015
DownloadsMolfile
FormulaC14H8O5
Net Charge0
Average Mass256.213
Monoisotopic Mass256.03717
SMILESO=C1c2ccccc2C(=O)c2c1cc(O)c(O)c2O
InChIInChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H
InChIKeyAHKDJQYHVWSRLT-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
anthragallol (CHEBI:2755) has role plant metabolite (CHEBI:76924)
anthragallol (CHEBI:2755) is a trihydroxyanthraquinone (CHEBI:37488)
IUPAC Name 
1,2,3-trihydroxyanthracene-9,10-dione
Synonyms  Source
AnthragallolKEGG COMPOUND
1,2,3-trihydroxy-9,10-anthraquinoneIUPAC
1,2,3-trihydroxy-9,10-anthracenedioneChemIDplus
1,2,3-trihydroxyanthraquinoneChemIDplus
anthragallic acidChemIDplus
Manual XrefsDatabases
C10297KEGG COMPOUND
C00002792KNApSAcK
Registry NumbersSources
Gmelin:1675819Gmelin
Reaxys:2058042Reaxys
CAS:602-64-2KEGG COMPOUND
CAS:602-64-2ChemIDplus
Citations