CHEBI:64450 - endocrocin

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ChEBI Name endocrocin
ChEBI ID CHEBI:64450
Definition A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a carboxy group at position 2, a methyl group at position 3, and hydroxy groups at positions 1, 6, and 8.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H10O7
Net Charge 0
Average Mass 314.24640
Monoisotopic Mass 314.04265
InChI InChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23)
InChIKey UZOHDKGTYVTYDZ-UHFFFAOYSA-N
SMILES Cc1cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c(O)c1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing endocrocin (CHEBI:64450) has role metabolite (CHEBI:25212)
endocrocin (CHEBI:64450) is a monocarboxylic acid (CHEBI:25384)
endocrocin (CHEBI:64450) is a phenols (CHEBI:33853)
endocrocin (CHEBI:64450) is a trihydroxyanthraquinone (CHEBI:37488)
IUPAC Name
1,6,8-trihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Synonym Source
9,10-dihydro-1,6,8-trihydroxy-3-methyl-9,10-dioxo-2-anthracenecarboxylic acid ChemIDplus
Registry Numbers Types Sources
2226192 Reaxys Registry Number Reaxys
481-70-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21512234 PubMed citation Europe PMC
22492455 PubMed citation Europe PMC
541252 PubMed citation Europe PMC
Last Modified
14 June 2016