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CHEBI:150013 - emodin anthrone

Default Structure
ChEBI IDCHEBI:150013
ChEBI Nameemodin anthrone
Stars
DefinitionA member of the class of anthracenones that is anthracen-9(10H)-one which carries a methyl group at position 6 and hydroxy groups at positions 1, 3 and 8, respectively. It is an intermediate precursor in the synthesis of hypericin.
Last Modified26 May 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H12O4
Net Charge0
Average Mass256.257
Monoisotopic Mass256.07356
SMILESCc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O
InChIInChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3
InChIKeyLAJSXCAVRQXZIO-UHFFFAOYSA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
emodin anthrone (CHEBI:150013) has role fungal metabolite (CHEBI:76946)
emodin anthrone (CHEBI:150013) is a anthracenone (CHEBI:146281)
emodin anthrone (CHEBI:150013) is a phenols (CHEBI:33853)
Incoming Relation(s)
emodin (CHEBI:42223) has functional parent emodin anthrone (CHEBI:150013)
IUPAC Name 
1,3,8-trihydroxy-6-methylanthracen-9(10H)-one
Synonyms  Source
1,3,8-trihydroxy-6-methylanthroneChemIDplus
emodin-9-anthroneSUBMITTER
emodinanthroneChemIDplus
UniProt Name  Source
emodin anthroneUniProt
Manual XrefsDatabases
C00000569KNApSAcK
FDB015346FooDB
HMDB0036457HMDB
RXN-14896MetaCyc
Registry NumbersSources
CAS:491-60-1ChemIDplus
Citations