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:

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)
	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