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CHEBI:66407 - multicaulin

Default Structure
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:
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)
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