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CHEBI:66364 - 12-methyl-5-dehydrohorminone

ChEBI IDCHEBI:66364
ChEBI Name12-methyl-5-dehydrohorminone
Stars
DefinitionAn abietane diterpenoid that is 5-dehydrohorminone in which the hydroxy group at position 12 is replaced by a methoxy group. Isolated from the roots of Salvia multicaulis, it exhibits antitubercular activity.
Last Modified3 June 2016
DownloadsMolfile
FormulaC21H28O4
Net Charge0
Average Mass344.451
Monoisotopic Mass344.19876
SMILESCOC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2O
InChIInChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h10-12,22H,7-9H2,1-6H3/t12-,21+/m1/s1
InChIKeyRUONQJYGQKYSSL-GTJPDFRWSA-N
Species of MetaboliteComponentSourceComments
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.
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-methyl-5-dehydrohorminone (CHEBI:66364) has functional parent horminone (CHEBI:73128)
12-methyl-5-dehydrohorminone (CHEBI:66364) has role antitubercular agent (CHEBI:33231)
12-methyl-5-dehydrohorminone (CHEBI:66364) has role metabolite (CHEBI:25212)
12-methyl-5-dehydrohorminone (CHEBI:66364) is a p-quinones (CHEBI:25830)
12-methyl-5-dehydrohorminone (CHEBI:66364) is a abietane diterpenoid (CHEBI:36762)
12-methyl-5-dehydrohorminone (CHEBI:66364) is a enol ether (CHEBI:47985)
12-methyl-5-dehydrohorminone (CHEBI:66364) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
12-methyl-5-dehydroacetylhorminone (CHEBI:66365) has functional parent 12-methyl-5-dehydrohorminone (CHEBI:66364)
IUPAC Name 
(7α)-7-hydroxy-12-methoxyabieta-5,8,12-triene-11,14-dione
Synonym  Source
(4bS,10R)-10-hydroxy-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,10-tetrahydrophenanthrene-1,4-dioneIUPAC
Registry NumbersSources
Reaxys:7885990Reaxys
Citations