CHEBI:68909 - (16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside

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ChEBI Name (16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside
ChEBI ID CHEBI:68909
Definition A natural product found in Machilus yaoshansis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H52O12
Net Charge 0
Average Mass 676.79090
Monoisotopic Mass 676.34588
InChI InChI=1S/C36H52O12/c1-31(2)16-9-10-21-33(5)13-19-28(36(8,45)22(38)12-24(46-19)32(3,4)44)34(33,6)14-23(39)35(21,7)17(16)11-18(29(31)43)47-30-27(42)26(41)25(40)20(15-37)48-30/h9,11,17,19-21,24-28,30,37,40-42,44-45H,10,12-15H2,1-8H3/t17-,19-,20-,21+,24+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
InChIKey IWNXFVRPEIWIJJ-VPLPWDSJSA-N
SMILES [H][C@@]12C[C@@]3(C)[C@]4([H])CC=C5[C@@]([H])(C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]3(C)[C@@]1([H])[C@@](C)(O)C(=O)C[C@H](O2)C(C)(C)O
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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via (16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside )
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside (CHEBI:68909) has role metabolite (CHEBI:25212)
(16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside (CHEBI:68909) is a cucurbitacin (CHEBI:16219)
(16alpha,20R,24S)-16,24-epoxy-2,20,25-trihydroxycucurbita-1,5-diene-3,11,22-trione 2-O-beta-D-glucopyranoside (CHEBI:68909) is a glycoside (CHEBI:24400)
Citation Waiting for Citations Type Source
22044245 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:diterpene glycoside(CHEBI:71939); ISA:11-oxo steroid(CHEBI:47787); ISA:3-oxo Delta(1)-steroid(CHEBI:20156); ISA:hydroxy steroid(CHEBI:35350); ISA:steroid(CHEBI:35341); ISA:diterpenoid(CHEBI:23849); ISA:glycoside(CHEBI:24400); ISA:disaccharide(CHEBI:36233); ISA:oxacycle(CHEBI:38104); ISA:cyclohexanones(CHEBI:23482); ISA:Acyloin(CHEBI:2468); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:acetal(CHEBI:59769); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734);