multiorthoquinone (CHEBI:66409)

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CHEBI:66409 - multiorthoquinone

ChEBI ID	CHEBI:66409
ChEBI Name	multiorthoquinone
Stars
Definition	A diterpenoid that is phenanthrene-3,4-dione substituted by a methoxy group at position 6, a methyl groups at positions 7 and 8 and an isopropyl group at position 2. A norabietane derivative, it is isolated from Salvia multicaulis and exhibits antitubercular activity.
Last Modified	6 June 2016
Downloads	Molfile

Formula	C20H20O3
Net Charge	0
Average Mass	308.377
Monoisotopic Mass	308.14124
SMILES	COc1cc2c3c(ccc2c(C)c1C)C=C(C(C)C)C(=O)C3=O
InChI	InChI=1S/C20H20O3/c1-10(2)15-8-13-6-7-14-11(3)12(4)17(23-5)9-16(14)18(13)20(22)19(15)21/h6-10H,1-5H3
InChIKey	YJIHLYMLQOIPEU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
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)
	multiorthoquinone (CHEBI:66409) has role antitubercular agent (CHEBI:33231)
	multiorthoquinone (CHEBI:66409) has role metabolite (CHEBI:25212)
	multiorthoquinone (CHEBI:66409) is a aromatic ether (CHEBI:35618)
	multiorthoquinone (CHEBI:66409) is a diterpenoid (CHEBI:23849)
	multiorthoquinone (CHEBI:66409) is a orthoquinones (CHEBI:25622)
	multiorthoquinone (CHEBI:66409) is a phenanthrenes (CHEBI:25961)

IUPAC Name
6-methoxy-7,8-dimethyl-2-propan-2-ylphenanthrene-3,4-dione

Synonym	Source
2-methoxy-11,12-dioxoabieta-1,3,5(10),6,8,13-hexaene	ChEBI

Registry Numbers	Sources
Reaxys:7876459	Reaxys

Citations