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CHEBI:90306 - α-aminoorcein

Default Structure
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 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).
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:
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.
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).
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