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CHEBI:67705 - jolkinol A

Default Structure
ChEBI IDCHEBI:67705
ChEBI Namejolkinol A
Stars
DefinitionA lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Last Modified17 March 2015
DownloadsMolfile
FormulaC29H36O6
Net Charge0
Average Mass480.601
Monoisotopic Mass480.25119
SMILES[H][C@]12O[C@]1(C)CC[C@]1([H])C(C)(C)[C@]1([H])/C=C(\CO)C(=O)[C@@]1(OC(=O)/C=C/c3ccccc3)C[C@H](C)[C@H](O)[C@]21[H]
InChIInChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14+/t17-,20-,21+,23+,24-,26+,28+,29+/m0/s1
InChIKeyZLHWPIKKGZWBKR-JARHKAFQSA-N
Species of MetaboliteComponentSourceComments
Euphorbia micractina (IPNI:347344-1) root (BTO:0001188) PubMed (21534583) Ethanolic extract of roots
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
jolkinol A (CHEBI:67705) is a cinnamate ester (CHEBI:36087)
jolkinol A (CHEBI:67705) is a epoxide (CHEBI:32955)
jolkinol A (CHEBI:67705) is a lathyrane diterpenoid (CHEBI:85247)
IUPAC Name 
(1aR,1bR,2S,3S,4aR,6E,7aR,8aS,10aR)-2-hydroxy-6-(hydroxymethyl)-3,8,8,10a-tetramethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2E)-3-phenylprop-2-enoate
Registry NumbersSources
Reaxys:9885629Reaxys
CAS:62820-11-5ChemIDplus
Citations