CHEBI:42223 - emodin

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ChEBI Name emodin
ChEBI ID CHEBI:42223
Definition A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42221, CHEBI:4782
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Formula C15H10O5
Net Charge 0
Average Mass 270.23690
Monoisotopic Mass 270.053
InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChIKey RHMXXJGYXNZAPX-UHFFFAOYSA-N
SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Metabolite of Species Details
Microdiplodia (NCBI:371130) EtOAc extract of an endophytic fungi isolated from Lycium intricatum of strain 9907 See: PubMed
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.
tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
laxative
An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.
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ChEBI Ontology
Outgoing emodin (CHEBI:42223) has role antineoplastic agent (CHEBI:35610)
emodin (CHEBI:42223) has role laxative (CHEBI:50503)
emodin (CHEBI:42223) has role plant metabolite (CHEBI:76924)
emodin (CHEBI:42223) has role tyrosine kinase inhibitor (CHEBI:38637)
emodin (CHEBI:42223) is a trihydroxyanthraquinone (CHEBI:37488)
emodin (CHEBI:42223) is conjugate acid of emodin(1−) (CHEBI:77659)
Incoming questin (CHEBI:16200) has functional parent emodin (CHEBI:42223)
emodin(1−) (CHEBI:77659) is conjugate base of emodin (CHEBI:42223)
IUPAC Name
1,3,8-trihydroxy-6-methylanthra-9,10-quinone
Synonyms Sources
1,3,8-trihydroxy-6-methyl-9,10-anthracenedione ChemIDplus
1,3,8-trihydroxy-6-methyl-9,10-anthraquinone ChemIDplus
3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE PDBeChem
Emodin KEGG COMPOUND
Schuttgelb ChemIDplus
Database Links Databases
C00000555 KNApSAcK
C10343 KEGG COMPOUND
DB07715 DrugBank
EMO PDBeChem
Emodin Wikipedia
LMPK13040008 LIPID MAPS
LSM-18994 LINCS
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Registry Numbers Types Sources
1888141 Beilstein Registry Number ChemIDplus
1888141 Reaxys Registry Number Reaxys
518-82-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
14 June 2016