EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2607 - Aloe emodin

ChEBI IDCHEBI:2607
ChEBI NameAloe emodin
Stars
DefinitionA dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe.
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H10O5
Net Charge0
Average Mass270.240
Monoisotopic Mass270.05282
SMILESO=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21
InChIInChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
InChIKeyYDQWDHRMZQUTBA-UHFFFAOYSA-N
Wikipedia
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)
Aloe emodin (CHEBI:2607) has functional parent chrysazin (CHEBI:3682)
Aloe emodin (CHEBI:2607) has role antineoplastic agent (CHEBI:35610)
Aloe emodin (CHEBI:2607) has role plant metabolite (CHEBI:76924)
Aloe emodin (CHEBI:2607) is a aromatic primary alcohol (CHEBI:33857)
Aloe emodin (CHEBI:2607) is a dihydroxyanthraquinone (CHEBI:37484)
IUPAC Name 
1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Synonyms  Source
Aloe-emodinKEGG COMPOUND
RhabarberoneHMDB
3-(Hydroxymethyl)chrysazinHMDB
1,8-Dihydroxy-3-hydroxymethylanthraquinoneChemIDplus
AloeemodinHMDB
Manual XrefsDatabases
C10294KEGG COMPOUND
LMPK13040002LIPID MAPS
Aloe_emodinWikipedia
HMDB0030829HMDB
US4670265Patent
C00002789KNApSAcK
Registry NumbersSources
Reaxys:2059062Reaxys
CAS:481-72-1KEGG COMPOUND
CAS:481-72-1ChemIDplus
Citations