CHEBI:77659 - emodin(1−)

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ChEBI Name emodin(1−)
ChEBI ID CHEBI:77659
ChEBI ASCII Name emodin(1-)
Definition A phenolate anion that is the conjugate base of emodin, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C15H9O5
Net Charge -1
Average Mass 269.22950
Monoisotopic Mass 269.04555
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/p-1
InChIKey RHMXXJGYXNZAPX-UHFFFAOYSA-M
SMILES Cc1cc(O)c2C(=O)c3c(O)cc([O-])cc3C(=O)c2c1
Roles Classification
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): 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.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing emodin(1−) (CHEBI:77659) has role antineoplastic agent (CHEBI:35610)
emodin(1−) (CHEBI:77659) has role laxative (CHEBI:50503)
emodin(1−) (CHEBI:77659) has role plant metabolite (CHEBI:76924)
emodin(1−) (CHEBI:77659) has role tyrosine kinase inhibitor (CHEBI:38637)
emodin(1−) (CHEBI:77659) is a phenolate anion (CHEBI:50525)
emodin(1−) (CHEBI:77659) is conjugate base of emodin (CHEBI:42223)
Incoming emodin (CHEBI:42223) is conjugate acid of emodin(1−) (CHEBI:77659)
IUPAC Name
4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate
Synonym Source
emodin UniProt
Last Modified
17 April 2014