12-demethylmulticaulin (CHEBI:66408)

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ChEBI Name	12-demethylmulticaulin

ChEBI ID	CHEBI:66408

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C19H20O

Net Charge

Average Mass

264.36150

Monoisotopic Mass

264.15142

InChI

InChI=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

InChIKey

ZMSKUQUFEKLXGK-UHFFFAOYSA-N

SMILES

CC(C)c1cc2ccc3c(C)c(C)ccc3c2cc1O

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-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-heptaene	ChEBI

Registry Number	Type	Source
7873031	Reaxys Registry Number	Reaxys

Citation	Type	Source
9428161	PubMed citation	Europe PMC

Last Modified

11 April 2013