multiorthoquinone (CHEBI:66409)

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ChEBI Name	multiorthoquinone

ChEBI ID	CHEBI:66409

Definition	A diterpenoid that is phenanthrene-3,4-dione substituted by a methoxy group at position 6, a methyl groups at positions 7 and 8 and an isopropyl group at position 2. A norabietane derivative, it is isolated from Salvia multicaulis and exhibits antitubercular activity.

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

Supplier Information

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Formula

C20H20O3

Net Charge

Average Mass

308.37100

Monoisotopic Mass

308.14124

InChI

InChI=1S/C20H20O3/c1-10(2)15-8-13-6-7-14-11(3)12(4)17(23-5)9-16(14)18(13)20(22)19(15)21/h6-10H,1-5H3

InChIKey

YJIHLYMLQOIPEU-UHFFFAOYSA-N

SMILES

COc1cc2c3C(=O)C(=O)C(=Cc3ccc2c(C)c1C)C(C)C

Metabolite of Species	Details
Salvia multicaulis (IPNI:456747-1)	Found in root (BTO:0001188). See: PubMed

Roles Classification
Biological Role(s):	antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. (via phenanthrenes )

Application(s):	antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.

ChEBI Ontology
Outgoing	multiorthoquinone (CHEBI:66409) has role antitubercular agent (CHEBI:33231) multiorthoquinone (CHEBI:66409) has role metabolite (CHEBI:25212) multiorthoquinone (CHEBI:66409) is a aromatic ether (CHEBI:35618) multiorthoquinone (CHEBI:66409) is a diterpenoid (CHEBI:23849) multiorthoquinone (CHEBI:66409) is a orthoquinones (CHEBI:25622) multiorthoquinone (CHEBI:66409) is a phenanthrenes (CHEBI:25961)

IUPAC Name

6-methoxy-7,8-dimethyl-2-propan-2-ylphenanthrene-3,4-dione

Synonym	Source
2-methoxy-11,12-dioxoabieta-1,3,5(10),6,8,13-hexaene	ChEBI

Registry Number	Type	Source
7876459	Reaxys Registry Number	Reaxys

Citation	Type	Source
9428161	PubMed citation	Europe PMC

Last Modified

06 June 2016