CHEBI:67480 - lansic acid 3-ethyl ester

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ChEBI Name lansic acid 3-ethyl ester
ChEBI ID CHEBI:67480
Definition A triterpenoid that is the 3-ethyl ester of lansic 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 C32H50O4
Net Charge 0
Average Mass 498.73700
Monoisotopic Mass 498.37091
InChI InChI=1S/C32H50O4/c1-10-36-30(35)18-20-32(9)26(22(4)5)14-12-24(7)28(32)16-15-27-23(6)11-13-25(21(2)3)31(27,8)19-17-29(33)34/h11,25-28H,2,4,7,10,12-20H2,1,3,5-6,8-9H3,(H,33,34)/t25-,26-,27-,28-,31-,32-/m0/s1
InChIKey ZLSDLEGKMGQSFU-BFIHGEENSA-N
SMILES CCOC(=O)CC[C@@]1(C)[C@@H](CCC(=C)[C@@H]1CC[C@H]1C(C)=CC[C@@H](C(C)=C)[C@]1(C)CCC(O)=O)C(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
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lansic acid 3-ethyl ester (CHEBI:67480) has functional parent lansic acid (CHEBI:67482)
lansic acid 3-ethyl ester (CHEBI:67480) has role antibacterial agent (CHEBI:33282)
lansic acid 3-ethyl ester (CHEBI:67480) has role plant metabolite (CHEBI:76924)
lansic acid 3-ethyl ester (CHEBI:67480) is a dicarboxylic acid monoester (CHEBI:36244)
lansic acid 3-ethyl ester (CHEBI:67480) is a ethyl ester (CHEBI:23990)
lansic acid 3-ethyl ester (CHEBI:67480) is a triterpenoid (CHEBI:36615)
IUPAC Name
3-[(1S,2S,6S)-2-{2-[(1S,2S,3S)-2-(3-ethoxy-3-oxopropyl)-2-methyl-6-methylidene-3-(prop-1-en-2-yl)cyclohexyl]ethyl}-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid
Registry Number Type Source
21534277 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401117 PubMed citation Europe PMC
Last Modified
02 March 2015