CHEBI:68913 - cucurbitacin J 2-O-β-D-glucopyranoside

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ChEBI Name cucurbitacin J 2-O-β-D-glucopyranoside
ChEBI ID CHEBI:68913
ChEBI ASCII Name cucurbitacin J 2-O-beta-D-glucopyranoside
Definition A triterpenoid saponin that is the β-D-glucopyranosyl derivative of cucurbitacin J. It has been isolated from Machilus yaoshansis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H54O13
Net Charge 0
Average Mass 694.80620
Monoisotopic Mass 694.35644
InChI InChI=1S/C36H54O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20-,21+,22-,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
InChIKey XPEAYHKXEWXAKV-WOVCZDRSSA-N
SMILES CC(C)(O)[C@H](O)CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Metabolite of Species Details
Machilus yaoshansis (NCBI:txid251260) Found in root (BTO:0001188). Ethanolic extract of air-dried and powdered roots 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.
allelochemical
A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
(via cucurbitacin )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cucurbitacin J 2-O-β-D-glucopyranoside (CHEBI:68913) has functional parent cucurbitacin J (CHEBI:3948)
cucurbitacin J 2-O-β-D-glucopyranoside (CHEBI:68913) has role plant metabolite (CHEBI:76924)
cucurbitacin J 2-O-β-D-glucopyranoside (CHEBI:68913) is a β-D-glucoside (CHEBI:22798)
cucurbitacin J 2-O-β-D-glucopyranoside (CHEBI:68913) is a cucurbitacin (CHEBI:16219)
cucurbitacin J 2-O-β-D-glucopyranoside (CHEBI:68913) is a monosaccharide derivative (CHEBI:63367)
cucurbitacin J 2-O-β-D-glucopyranoside (CHEBI:68913) is a tertiary α-hydroxy ketone (CHEBI:139592)
cucurbitacin J 2-O-β-D-glucopyranoside (CHEBI:68913) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(4R,9β,16α,24R)-16,20,24,25-tetrahydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl β-D-glucopyranoside
Registry Number Type Source
9110253 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22044245 PubMed citation Europe PMC
Last Modified
07 February 2018