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CHEBI:66365 - 12-methyl-5-dehydroacetylhorminone

ChEBI IDCHEBI:66365
ChEBI Name12-methyl-5-dehydroacetylhorminone
Stars
DefinitionAn abietane diterpenoid that is the acetate ester of 12-methyl-5-dehydrohorminone. Isolated from the roots of Salvia multicaulis, it exhibits antitubercular activity.
Last Modified3 June 2016
DownloadsMolfile
FormulaC23H30O5
Net Charge0
Average Mass386.488
Monoisotopic Mass386.20932
SMILESCOC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2OC(C)=O
InChIInChI=1S/C23H30O5/c1-12(2)16-19(25)17-14(28-13(3)24)11-15-22(4,5)9-8-10-23(15,6)18(17)20(26)21(16)27-7/h11-12,14H,8-10H2,1-7H3/t14-,23+/m1/s1
InChIKeyKRHKKRFFQDNBIN-FATZIPQQSA-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-dehydroacetylhorminone (CHEBI:66365) has functional parent 12-methyl-5-dehydrohorminone (CHEBI:66364)
12-methyl-5-dehydroacetylhorminone (CHEBI:66365) has role antitubercular agent (CHEBI:33231)
12-methyl-5-dehydroacetylhorminone (CHEBI:66365) has role metabolite (CHEBI:25212)
12-methyl-5-dehydroacetylhorminone (CHEBI:66365) is a p-quinones (CHEBI:25830)
12-methyl-5-dehydroacetylhorminone (CHEBI:66365) is a abietane diterpenoid (CHEBI:36762)
12-methyl-5-dehydroacetylhorminone (CHEBI:66365) is a acetate ester (CHEBI:47622)
12-methyl-5-dehydroacetylhorminone (CHEBI:66365) is a enol ether (CHEBI:47985)
IUPAC Name 
(7α)-12-methoxy-11,14-dioxoabieta-5,8,12-trien-7-yl acetate
Synonym  Source
[(4aS,9R)-6-methoxy-1,1,4a-trimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9-tetrahydrophenanthren-9-yl] acetateIUPAC
Registry NumbersSources
Reaxys:7890385Reaxys
Citations