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CHEBI:66407 - multicaulin

ChEBI IDCHEBI:66407
ChEBI Namemulticaulin
Stars
DefinitionA diterpenoid that is phenanthrene substituted by a methoxy group at position 6, methyl groups at position 1 and 2 and an isopropyl group at position 7. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity.
Last Modified11 April 2013
DownloadsMolfile
FormulaC20H22O
Net Charge0
Average Mass278.395
Monoisotopic Mass278.16707
SMILESCOc1cc2c(ccc3c(C)c(C)ccc32)cc1C(C)C
InChIInChI=1S/C20H22O/c1-12(2)18-10-15-7-9-16-14(4)13(3)6-8-17(16)19(15)11-20(18)21-5/h6-12H,1-5H3
InChIKeyQSZDTCGHFRXGFB-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)
multicaulin (CHEBI:66407) has role antitubercular agent (CHEBI:33231)
multicaulin (CHEBI:66407) has role metabolite (CHEBI:25212)
multicaulin (CHEBI:66407) is a aromatic ether (CHEBI:35618)
multicaulin (CHEBI:66407) is a diterpenoid (CHEBI:23849)
multicaulin (CHEBI:66407) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
6-methoxy-1,2-dimethyl-7-(propan-2-yl)phenanthrene
Synonyms  Source
12-methoxy-abieta-1,3,5(10),6,8,11,13-heptaeneChEBI
7,8-dimethyl-2-(propan-2-yl)phenanthren-3-yl methyl etherIUPAC
Registry NumbersSources
Reaxys:7874294Reaxys
Citations