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CHEBI:66364 - 12-methyl-5-dehydrohorminone

Default Structure
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:
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-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