CHEBI:67705 - jolkinol A

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ChEBI Name jolkinol A
ChEBI ID CHEBI:67705
Definition A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H36O6
Net Charge 0
Average Mass 480.59250
Monoisotopic Mass 480.25119
InChI InChI=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
InChIKey ZLHWPIKKGZWBKR-JARHKAFQSA-N
SMILES C[C@H]1C[C@@]2(OC(=O)\C=C\c3ccccc3)[C@@H]([C@H]3O[C@]3(C)CC[C@H]3[C@@H](\C=C(CO)\C2=O)C3(C)C)[C@H]1O
Metabolite of Species Details
Euphorbia micractina (IPNI:347344-1) Found in root (BTO:0001188). Ethanolic extract of 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.
(via lathyrane diterpenoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Numbers Types Sources
62820-11-5 CAS Registry Number ChemIDplus
9885629 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15114502 PubMed citation Europe PMC
21534583 PubMed citation Europe PMC
Last Modified
17 March 2015