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

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

ChEBI ID	CHEBI:69519
ChEBI Name	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone
Stars
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.
Last Modified	22 May 2014
Downloads	Molfile

Formula	C15H10O5
Net Charge	0
Average Mass	270.240
Monoisotopic Mass	270.05282
SMILES	Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=O
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

Species of Metabolite	Component	Source	Comments
Rubia yunnanensis (IPNI:765385-1)	root (BTO:0001188)	PubMed (21973054)	Methanolic extract of air dried powdered roots.

Roles Classification

Biological Role:

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 Relation(s)
	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 Relation(s)
	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3'-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-(6'-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-(6'-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-(6'-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)
	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)

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

Registry Numbers	Sources
Reaxys:4754722	Reaxys

Citations