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CHEBI:3687 - chrysophanol

ChEBI IDCHEBI:3687
ChEBI Namechrysophanol
Stars
DefinitionA trihydroxyanthraquinone that is chrysazin with a methyl substituent at C-3. It has been isolated from Aloe vera and exhibits antiviral and anti-inflammatory activity.
Last Modified26 May 2020
DownloadsMolfile
FormulaC15H10O4
Net Charge0
Average Mass254.241
Monoisotopic Mass254.05791
SMILESCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKeyLQGUBLBATBMXHT-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Aloe vera (ncbitaxon:34199) - PubMed (24358188)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
chrysophanol (CHEBI:3687) has functional parent chrysazin (CHEBI:3682)
chrysophanol (CHEBI:3687) has role anti-inflammatory agent (CHEBI:67079)
chrysophanol (CHEBI:3687) has role antiviral agent (CHEBI:22587)
chrysophanol (CHEBI:3687) has role plant metabolite (CHEBI:76924)
chrysophanol (CHEBI:3687) is a dihydroxyanthraquinone (CHEBI:37484)
Incoming Relation(s)
2-hydroxychrysophanol (CHEBI:7635) has functional parent chrysophanol (CHEBI:3687)
chrysophanol 8-O-β-D-glucoside (CHEBI:3688) has functional parent chrysophanol (CHEBI:3687)
IUPAC Name 
1,8-dihydroxy-3-methyl-9,10-anthraquinone
Synonyms  Source
ChrysophanolKEGG COMPOUND
Chrysophanic acidKEGG COMPOUND
1,8-Dihydroxy-3-methylanthraquinoneKEGG COMPOUND
1,8-dihydroxy-3-methyl-9,10-anthracenedioneChemIDplus
ChrysophansäureChEBI
3-methylchrysazinChemIDplus
UniProt Name  Source
chrysophanolUniProt
Manual XrefsDatabases
C10315KEGG COMPOUND
LMPK13040006LIPID MAPS
CPD-8216MetaCyc
HMDB0030670HMDB
ChrysophanolWikipedia
C00000568KNApSAcK
LSM-19027LINCS
Registry NumbersSources
Gmelin:220618Gmelin
Reaxys:1252300Reaxys
CAS:481-74-3KEGG COMPOUND
CAS:481-74-3ChemIDplus
Citations