CHEBI:2523 - ajaconine

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ChEBI Name ajaconine
ChEBI ID CHEBI:2523
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H33NO3
Net Charge 0
Average Mass 359.50236
Monoisotopic Mass 359.24604
InChI InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19?,20-,21-,22+/m0/s1
InChIKey RLXRCZIALRMBJR-VRMMQTGXSA-N
SMILES [H][C@@]12C[C@H]3OC4N(CCO)C[C@]1(C)CCC[C@@]24[C@]1([H])C[C@@H]2CC[C@]31[C@H](O)C2=C
Metabolite of Species Details
Consolida orientalis (NCBI:txid565971) Found in aerial part (BTO:0001658). See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ajaconine (CHEBI:2523) has parent hydride atidane (CHEBI:35919)
ajaconine (CHEBI:2523) has role plant metabolite (CHEBI:76924)
ajaconine (CHEBI:2523) is a cyclic ether (CHEBI:37407)
ajaconine (CHEBI:2523) is a diterpenoid (CHEBI:23849)
ajaconine (CHEBI:2523) is a olefinic compound (CHEBI:78840)
ajaconine (CHEBI:2523) is a organic heterohexacyclic compound (CHEBI:51914)
ajaconine (CHEBI:2523) is a primary alcohol (CHEBI:15734)
ajaconine (CHEBI:2523) is a secondary alcohol (CHEBI:35681)
ajaconine (CHEBI:2523) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
7α,20-epoxy-21-(2-hydroxyethyl)-4-methylatid-16-en-15β-ol
Synonym Source
Ajaconine KEGG COMPOUND
Manual Xrefs Databases
C00001612 KNApSAcK
C08656 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
43880 Reaxys Registry Number Reaxys
545-61-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15133202 PubMed citation Europe PMC
5645066 PubMed citation Europe PMC
8864243 PubMed citation Europe PMC
Last Modified
30 January 2015