laccaic acid D (CHEBI:90194)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	laccaic acid D

ChEBI ID	CHEBI:90194

Definition	A trihydroxyanthraquinone that is that is 3,6,8-trihydroxy-9,10-anthraquinone substituted by methyl and carboxy groups at positions 1 and 2 respectively. A minor component of LAC dye together with laccaic acids A, B and C.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H10O7

Net Charge

Average Mass

314.247

Monoisotopic Mass

314.04265

InChI

InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)

InChIKey

DDTNCHWMNZLWKO-UHFFFAOYSA-N

SMILES

C=1C(=C2C(C3=C(C=C(O)C(C(O)=O)=C3C)C(C2=CC1O)=O)=O)O

Metabolite of Species	Details
Dactylopius coccus (NCBI:txid765876)	See: PubMed

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):	animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.

Application(s):	dye

ChEBI Ontology
Outgoing	laccaic acid D (CHEBI:90194) has role animal metabolite (CHEBI:75767) laccaic acid D (CHEBI:90194) has role dye (CHEBI:37958) laccaic acid D (CHEBI:90194) is a monocarboxylic acid (CHEBI:25384) laccaic acid D (CHEBI:90194) is a polyphenol (CHEBI:26195) laccaic acid D (CHEBI:90194) is a trihydroxyanthraquinone (CHEBI:37488) laccaic acid D (CHEBI:90194) is conjugate acid of laccaic acid D(1−) (CHEBI:149532)

Incoming	LAC dye (CHEBI:90184) has part laccaic acid D (CHEBI:90194) laccaic acid D(1−) (CHEBI:149532) is conjugate base of laccaic acid D (CHEBI:90194)

IUPAC Name

3,6,8-trihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

Synonyms	Sources
9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid	HMDB
Flavokermesic acid	HMDB
Xanthokermesic acid	HMDB

Last Modified

19 May 2020