multicaulin (CHEBI:66407)

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ChEBI Name	multicaulin

ChEBI ID	CHEBI:66407

Definition	A 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O

Net Charge

Average Mass

278.38810

Monoisotopic Mass

278.16707

InChI

InChI=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

InChIKey

QSZDTCGHFRXGFB-UHFFFAOYSA-N

SMILES

COc1cc2c(ccc3c(C)c(C)ccc23)cc1C(C)C

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	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	Sources
12-methoxy-abieta-1,3,5(10),6,8,11,13-heptaene	ChEBI
7,8-dimethyl-2-(propan-2-yl)phenanthren-3-yl methyl ether	IUPAC

Registry Number	Type	Source
7874294	Reaxys Registry Number	Reaxys

Citation	Type	Source
9428161	PubMed citation	Europe PMC

Last Modified

11 April 2013