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CHEBI:66408 - 12-demethylmulticaulin

ChEBI IDCHEBI:66408
ChEBI Name12-demethylmulticaulin
Stars
DefinitionA diterpenoid that is multicaulin in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity.
Last Modified11 April 2013
DownloadsMolfile
FormulaC19H20O
Net Charge0
Average Mass264.368
Monoisotopic Mass264.15142
SMILESCc1ccc2c(ccc3cc(C(C)C)c(O)cc32)c1C
InChIInChI=1S/C19H20O/c1-11(2)17-9-14-6-8-15-13(4)12(3)5-7-16(15)18(14)10-19(17)20/h5-11,20H,1-4H3
InChIKeyZMSKUQUFEKLXGK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Salvia multicaulis (IPNI:456747-1) root (BTO:0001188) PubMed (9428161)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
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-demethylmulticaulin (CHEBI:66408) has role antitubercular agent (CHEBI:33231)
12-demethylmulticaulin (CHEBI:66408) has role metabolite (CHEBI:25212)
12-demethylmulticaulin (CHEBI:66408) is a diterpenoid (CHEBI:23849)
12-demethylmulticaulin (CHEBI:66408) is a phenanthrenes (CHEBI:25961)
12-demethylmulticaulin (CHEBI:66408) is a phenols (CHEBI:33853)
IUPAC Name 
7,8-dimethyl-2-propan-2-ylphenanthren-3-ol
Synonym  Source
12-hydroxy-abieta-1,3,5(10),6,8,11,13-heptaeneChEBI
Registry NumbersSources
Reaxys:7873031Reaxys
Citations