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CHEBI:66365 - 12-methyl-5-dehydroacetylhorminone

Default Structure
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:
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.
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