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	ZINC000059211766

Download	Molfile XML SDF

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

Last Modified

22 May 2014