12-demethylmultiorthoquinone (CHEBI:66410)

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ChEBI Name	12-demethylmultiorthoquinone

ChEBI ID	CHEBI:66410

Definition	A diterpenoid that is multiorthoquinone in which the methoxy group at position 12 is replaced by a hydroxy group. 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

Download	Molfile XML SDF

Formula

C19H18O3

Net Charge

Average Mass

294.34440

Monoisotopic Mass

294.12559

InChI

InChI=1S/C19H18O3/c1-9(2)14-7-12-5-6-13-10(3)11(4)16(20)8-15(13)17(12)19(22)18(14)21/h5-9,20H,1-4H3

InChIKey

OVYJWDSHGYTZSE-UHFFFAOYSA-N

SMILES

CC(C)C1=Cc2ccc3c(C)c(C)c(O)cc3c2C(=O)C1=O

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	12-demethylmultiorthoquinone (CHEBI:66410) has role antitubercular agent (CHEBI:33231) 12-demethylmultiorthoquinone (CHEBI:66410) has role metabolite (CHEBI:25212) 12-demethylmultiorthoquinone (CHEBI:66410) is a diterpenoid (CHEBI:23849) 12-demethylmultiorthoquinone (CHEBI:66410) is a orthoquinones (CHEBI:25622) 12-demethylmultiorthoquinone (CHEBI:66410) is a phenanthrenes (CHEBI:25961)

IUPAC Name

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

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

Registry Number	Type	Source
7875836	Reaxys Registry Number	Reaxys

Citation	Type	Source
9428161	PubMed citation	Europe PMC

Last Modified

03 June 2016