CHEBI:67484 - methyl lansiolate

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ChEBI Name methyl lansiolate
ChEBI ID CHEBI:67484
Definition A triterpenoid that is the methyl ester of lansiolic acid. It has been isolated from the twigs of Lansium domesticum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H50O3
Net Charge 0
Average Mass 470.72690
Monoisotopic Mass 470.37600
InChI InChI=1S/C31H50O3/c1-20(2)23-12-10-21(3)24(30(23,7)19-17-28(33)34-9)13-14-25-22(4)11-15-26-29(5,6)27(32)16-18-31(25,26)8/h10,23-27,32H,1,4,11-19H2,2-3,5-9H3/t23-,24-,25-,26-,27-,30-,31+/m0/s1
InChIKey UCRMFRXIRGKEPT-NGVCODNXSA-N
SMILES COC(=O)CC[C@]1(C)[C@@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)C(C)=CC[C@H]1C(C)=C
Metabolite of Species Details
Lansium domesticum (NCBI:txid201017) Found in twig (BTO:0001411). 95% ethanolic extract of air-dried and powdered twigs See: PubMed
Roles Classification
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl lansiolate (CHEBI:67484) has functional parent lansiolic acid (CHEBI:67483)
methyl lansiolate (CHEBI:67484) has role antibacterial agent (CHEBI:33282)
methyl lansiolate (CHEBI:67484) has role plant metabolite (CHEBI:76924)
methyl lansiolate (CHEBI:67484) is a methyl ester (CHEBI:25248)
methyl lansiolate (CHEBI:67484) is a secondary alcohol (CHEBI:35681)
methyl lansiolate (CHEBI:67484) is a triterpenoid (CHEBI:36615)
IUPAC Name
methyl 3-[(1S,2S,6S)-2-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate
Registry Number Type Source
4724977 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401117 PubMed citation Europe PMC
Last Modified
06 March 2015