1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519)

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ChEBI Name	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone

ChEBI ID	CHEBI:69519

Definition	A trihydroxyanthraquinone that is 9,10-anthraquinone substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.

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

Supplier Information

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Formula

C15H10O5

Net Charge

Average Mass

270.23690

Monoisotopic Mass

270.05282

InChI

InChI=1S/C15H10O5/c1-6-11(17)5-10-12(13(6)18)15(20)8-3-2-7(16)4-9(8)14(10)19/h2-5,16-18H,1H3

InChIKey

JKJVBHYKKRDSPP-UHFFFAOYSA-N

SMILES

Cc1c(O)cc2C(=O)c3cc(O)ccc3C(=O)c2c1O

Metabolite of Species	Details
Rubia yunnanensis (IPNI:765385-1)	Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519) has role plant metabolite (CHEBI:76924) 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519) is a trihydroxyanthraquinone (CHEBI:37488)

Incoming	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69537) has functional parent 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519) 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69539) has functional parent 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519) 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) has functional parent 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519) 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-glucopyranoside (CHEBI:69536) has functional parent 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519) 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69538) has functional parent 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519)

IUPAC Name

1,3,6-trihydroxy-2-methylanthracene-9,10-dione

Registry Number	Type	Source
4754722	Reaxys Registry Number	Reaxys

Citation	Type	Source
21973054	PubMed citation	Europe PMC

Last Modified

22 May 2014