Aloe emodin (CHEBI:2607)

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ChEBI Name	Aloe emodin

ChEBI ID	CHEBI:2607

Definition	A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C15H10O5

Net Charge

Average Mass

270.23690

Monoisotopic Mass

270.05282

InChI

InChI=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

InChIKey

YDQWDHRMZQUTBA-UHFFFAOYSA-N

SMILES

OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

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.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	Sources
1,8-Dihydroxy-3-hydroxymethylanthraquinone	ChemIDplus
3-(Hydroxymethyl)chrysazin	HMDB
Aloe-emodin	KEGG COMPOUND
Aloeemodin	HMDB
Rhabarberone	HMDB

Last Modified

28 July 2014