CHEBI:8645 - purpurin

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ChEBI Name purpurin
ChEBI ID CHEBI:8645
Definition A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H8O5
Net Charge 0
Average Mass 256.21032
Monoisotopic Mass 256.03717
InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChIKey BBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
Roles Classification
Biological Role(s): biological pigment
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): histological dye
A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing purpurin (CHEBI:8645) has role biological pigment (CHEBI:26130)
purpurin (CHEBI:8645) has role histological dye (CHEBI:77178)
purpurin (CHEBI:8645) has role plant metabolite (CHEBI:76924)
purpurin (CHEBI:8645) is a trihydroxyanthraquinone (CHEBI:37488)
IUPAC Name
1,2,4-trihydroxyanthracene-9,10-dione
Synonyms Sources
1,2,4-trihydroxy-9,10-anthracenedione ChemIDplus
1,2,4-trihydroxy-9,10-anthraquinone IUPAC
1,2,4-trihydroxyanthra-9,10-quinone NIST Chemistry WebBook
1,2,4-Trihydroxyanthrachinon NIST Chemistry WebBook
1,2,4-trihydroxyanthraquinone ChemIDplus
Alizarin purpurin ChEBI
C.I. 58205 ChEBI
hydroxylizaric acid ChemIDplus
Pr ChEBI
Purpurin KEGG COMPOUND
purpurine ChemIDplus
smoke Brown G ChEBI
verantin ChEBI
Manual Xrefs Databases
1,2,4-Trihydroxyanthraquinone Wikipedia
C00002857 KNApSAcK
C10395 KEGG COMPOUND
CN101659793 Patent
View more database links
Registry Numbers Types Sources
1887127 Reaxys Registry Number Reaxys
1887127 Beilstein Registry Number ChemIDplus
271628 Gmelin Registry Number Gmelin
81-54-9 CAS Registry Number KEGG COMPOUND
81-54-9 CAS Registry Number ChemIDplus
81-54-9 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
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Last Modified
07 August 2015