CHEBI:8205 - picrotin

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ChEBI Name picrotin
Definition An organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H18O7
Net Charge 0
Average Mass 310.300
Monoisotopic Mass 310.10525
InChI InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1
SMILES [C@]123[C@]4([C@@]([C@@H]5[C@H](C(O)(C)C)[C@H]([C@]4(OC1=O)[H])OC5=O)(O)C[C@]2(O3)[H])C
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.
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ChEBI Ontology
Outgoing picrotin (CHEBI:8205) has functional parent picrotoxinin (CHEBI:8206)
picrotin (CHEBI:8205) has role plant metabolite (CHEBI:76924)
picrotin (CHEBI:8205) is a γ-lactone (CHEBI:37581)
picrotin (CHEBI:8205) is a diol (CHEBI:23824)
picrotin (CHEBI:8205) is a epoxide (CHEBI:32955)
picrotin (CHEBI:8205) is a organic heteropentacyclic compound (CHEBI:38164)
picrotin (CHEBI:8205) is a picrotoxane sesquiterpenoid (CHEBI:134174)
picrotin (CHEBI:8205) is a tertiary alcohol (CHEBI:26878)
Incoming picrotoxin (CHEBI:134126) has part picrotin (CHEBI:8205)
Manual Xrefs Databases
2163 DrugCentral
C00003349 KNApSAcK
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Registry Numbers Types Sources
1438953 Reaxys Registry Number Reaxys
21416-53-5 CAS Registry Number KEGG COMPOUND
21416-53-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10860922 PubMed citation Europe PMC
14806491 PubMed citation Europe PMC
17405877 PubMed citation Europe PMC
17659095 PubMed citation Europe PMC
17714449 PubMed citation Europe PMC
23079787 PubMed citation Europe PMC
7603613 PubMed citation Europe PMC
IND500666945 Agricola citation Europe PMC
Last Modified
22 February 2017