CHEBI:67475 - lamesticumin B

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ChEBI Name lamesticumin B
ChEBI ID CHEBI:67475
Definition A triterpenoid of the class of onoceranoid-type terpenoids 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 C31H52O4
Net Charge 0
Average Mass 488.74220
Monoisotopic Mass 488.38656
InChI InChI=1S/C31H52O4/c1-20-10-14-24-28(3,4)26(32)16-18-30(24,7)22(20)12-13-23-21(2)11-15-25(29(5,6)34)31(23,8)19-17-27(33)35-9/h11,22-26,32,34H,1,10,12-19H2,2-9H3/t22-,23-,24-,25-,26-,30+,31+/m0/s1
InChIKey KYHATJJXUGJUJJ-LUFVGXTESA-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)O
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): 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 lamesticumin B (CHEBI:67475) has role antibacterial agent (CHEBI:33282)
lamesticumin B (CHEBI:67475) has role plant metabolite (CHEBI:76924)
lamesticumin B (CHEBI:67475) is a diol (CHEBI:23824)
lamesticumin B (CHEBI:67475) is a methyl ester (CHEBI:25248)
lamesticumin B (CHEBI:67475) is a triterpenoid (CHEBI:36615)
IUPAC Name
rel-methyl 3-[(1R,2S,6R)-6-(2-hydroxypropan-2-yl)-2-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,3-dimethylcyclohex-3-en-1-yl]propanoate
Registry Number Type Source
21534280 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401117 PubMed citation Europe PMC
Last Modified
30 March 2015