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CHEBI:69520 - 3-hydroxy-2-hydroxymethyl-9,10-anthraquinone

ChEBI IDCHEBI:69520
ChEBI Name3-hydroxy-2-hydroxymethyl-9,10-anthraquinone
Stars
DefinitionA monohydroxyanthraquinone that is 9,10-anthraquinone substituted by a hydroxy group at position 2 and a hydroxymethyl group at position 3. It has been isolated from the roots of Rubia yunnanensis.
Last Modified14 June 2016
DownloadsMolfile
FormulaC15H10O4
Net Charge0
Average Mass254.241
Monoisotopic Mass254.05791
SMILESO=C1c2ccccc2C(=O)c2cc(CO)c(O)cc21
InChIInChI=1S/C15H10O4/c16-7-8-5-11-12(6-13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2
InChIKeyLMXDYBJTJGPZPD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rubia yunnanensis (IPNI:765385-1) root (BTO:0001188) PubMed (21973054) Methanolic extract of air dried powdered roots.
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-hydroxymethyl-9,10-anthraquinone (CHEBI:69520) has role antineoplastic agent (CHEBI:35610)
3-hydroxy-2-hydroxymethyl-9,10-anthraquinone (CHEBI:69520) has role plant metabolite (CHEBI:76924)
3-hydroxy-2-hydroxymethyl-9,10-anthraquinone (CHEBI:69520) is a monohydroxyanthraquinone (CHEBI:37483)
3-hydroxy-2-hydroxymethyl-9,10-anthraquinone (CHEBI:69520) is a primary alcohol (CHEBI:15734)
IUPAC Name 
2-hydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Registry NumbersSources
Reaxys:1988488Reaxys
Citations