CHEBI:2755 - anthragallol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name anthragallol
ChEBI ID CHEBI:2755
Definition A trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 2 and 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H8O5
Net Charge 0
Average Mass 256.21032
Monoisotopic Mass 256.03717
InChI InChI=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
InChIKey AHKDJQYHVWSRLT-UHFFFAOYSA-N
SMILES Oc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,2,3-trihydroxy-9,10-anthracenedione ChemIDplus
1,2,3-trihydroxy-9,10-anthraquinone IUPAC
1,2,3-trihydroxyanthraquinone ChemIDplus
anthragallic acid ChemIDplus
Anthragallol KEGG COMPOUND
Manual Xrefs Databases
C00002792 KNApSAcK
C10297 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1675819 Gmelin Registry Number Gmelin
2058042 Reaxys Registry Number Reaxys
2058042 Beilstein Registry Number ChemIDplus
602-64-2 CAS Registry Number KEGG COMPOUND
602-64-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
785247 PubMed citation Europe PMC
Last Modified
09 February 2015