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CHEBI:66410 - 12-demethylmultiorthoquinone

ChEBI IDCHEBI:66410
ChEBI Name12-demethylmultiorthoquinone
Stars
DefinitionA 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.
Last Modified3 June 2016
DownloadsMolfile
FormulaC19H18O3
Net Charge0
Average Mass294.350
Monoisotopic Mass294.12559
SMILESCc1c(O)cc2c3c(ccc2c1C)C=C(C(C)C)C(=O)C3=O
InChIInChI=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
InChIKeyOVYJWDSHGYTZSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Salvia multicaulis (IPNI:456747-1) root (BTO:0001188) PubMed (9428161)
Roles Classification
Biological Roles:
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.
Application:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
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-hexaeneChEBI
Registry NumbersSources
Reaxys:7875836Reaxys
Citations