12-demethylmulticaulin (CHEBI:66408)

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CHEBI:66408 - 12-demethylmulticaulin

ChEBI ID	CHEBI:66408
ChEBI Name	12-demethylmulticaulin
Stars
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.
Last Modified	11 April 2013
Downloads	Molfile

Formula	C19H20O
Net Charge	0
Average Mass	264.368
Monoisotopic Mass	264.15142
SMILES	Cc1ccc2c(ccc3cc(C(C)C)c(O)cc32)c1C
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

Species of Metabolite	Component	Source	Comments
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-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 Numbers	Sources
Reaxys:7873031	Reaxys

Citations