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CHEBI:90306 - α-aminoorcein

ChEBI IDCHEBI:90306
ChEBI Nameα-aminoorcein
Stars
ASCII Namealpha-aminoorcein
DefinitionA member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying additional amino and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respectively. A component of orcein, a mixture of dyes isolated from lichens.
Last Modified12 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC21H18N2O4
Net Charge0
Average Mass362.385
Monoisotopic Mass362.12666
SMILESCc1cc(=O)cc2oc3cc(N)c(-c4c(C)cc(O)cc4O)c(C)c3nc1-2
InChIInChI=1S/C21H18N2O4/c1-9-4-12(24)6-15(26)18(9)19-11(3)21-17(8-14(19)22)27-16-7-13(25)5-10(2)20(16)23-21/h4-8,24,26H,22H2,1-3H3
InChIKeyNNZHGEUZKBYASA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
food colouring  A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
food colouring  A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199).
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.
ChEBI Ontology
Outgoing Relation(s)
α-aminoorcein (CHEBI:90306) has role food colouring (CHEBI:77182)
α-aminoorcein (CHEBI:90306) has role histological dye (CHEBI:77178)
α-aminoorcein (CHEBI:90306) has role plant metabolite (CHEBI:76924)
α-aminoorcein (CHEBI:90306) is a aromatic amine (CHEBI:33860)
α-aminoorcein (CHEBI:90306) is a cyclic ketone (CHEBI:3992)
α-aminoorcein (CHEBI:90306) is a phenoxazine (CHEBI:25970)
α-aminoorcein (CHEBI:90306) is a resorcinols (CHEBI:33572)
Incoming Relation(s)
orcein (CHEBI:90299) has part α-aminoorcein (CHEBI:90306)
IUPAC Name 
7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one
Registry NumbersSources
Reaxys:358067Reaxys
CAS:642-61-5ChemIDplus