rubianthraquinone (CHEBI:69531)

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ChEBI Name	rubianthraquinone

ChEBI ID	CHEBI:69531

Definition	A member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by hydroxy groups at positions 3 and 6, a methoxy group at position 1 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

Download	Molfile XML SDF

Formula

C16H12O5

Net Charge

Average Mass

284.26350

Monoisotopic Mass

284.06847

InChI

InChI=1S/C16H12O5/c1-7-12(18)6-11-13(16(7)21-2)15(20)9-4-3-8(17)5-10(9)14(11)19/h3-6,17-18H,1-2H3

InChIKey

FDRWSVGPMGRFGX-UHFFFAOYSA-N

SMILES

COc1c(C)c(O)cc2C(=O)c3cc(O)ccc3C(=O)c12

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	rubianthraquinone (CHEBI:69531) has role plant metabolite (CHEBI:76924) rubianthraquinone (CHEBI:69531) is a aromatic ether (CHEBI:35618) rubianthraquinone (CHEBI:69531) is a dihydroxyanthraquinone (CHEBI:37484)

IUPAC Name

3,6-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione

Registry Number	Type	Source
9422642	Reaxys Registry Number	Reaxys

Last Modified

09 January 2014