CHEBI:66365 - 12-methyl-5-dehydroacetylhorminone

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ChEBI Name 12-methyl-5-dehydroacetylhorminone
ChEBI ID CHEBI:66365
Definition An abietane diterpenoid that is the acetate ester of 12-methyl-5-dehydrohorminone. Isolated from the roots of Salvia multicaulis, it exhibits antitubercular activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H30O5
Net Charge 0
Average Mass 386.48130
Monoisotopic Mass 386.20932
InChI InChI=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
InChIKey KRHKKRFFQDNBIN-FATZIPQQSA-N
SMILES COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2OC(C)=O
Metabolite of Species Details
Salvia multicaulis (IPNI:456747-1) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): 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(s): antitubercular agent
A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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] acetate IUPAC
Registry Number Type Source
7890385 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9428161 PubMed citation Europe PMC
Last Modified
03 June 2016