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CHEBI:6113 - karakoline
| Formula | C22H35NO4 |
| Net Charge | 0 |
| Average Mass | 377.525 |
| Monoisotopic Mass | 377.25661 |
| SMILES | [H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@@]1([H])C[C@]2([H])[C@@]4(C)CC[C@H](O)[C@]23C1N(CC)C4 |
| InChI | InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1 |
| InChIKey | HKQZUYOVMYOFIT-VHNBHZRZSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | phytotoxin Any toxin produced by a plant. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| karakoline (CHEBI:6113) has parent hydride aconitane (CHEBI:35911) |
| karakoline (CHEBI:6113) has role phytotoxin (CHEBI:38231) |
| karakoline (CHEBI:6113) is a alkaloid (CHEBI:22315) |
| karakoline (CHEBI:6113) is a bridged compound (CHEBI:35990) |
| karakoline (CHEBI:6113) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| karakoline (CHEBI:6113) is a secondary alcohol (CHEBI:35681) |
| karakoline (CHEBI:6113) is a tertiary alcohol (CHEBI:26878) |
| karakoline (CHEBI:6113) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 20-ethyl-16β-methoxy-4-methylaconitane-1α,8,14α-triol |
| Synonyms | Source |
|---|---|
| Karakoline | KEGG COMPOUND |
| Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)- | KEGG COMPOUND |
| Carmichaeline | ChemIDplus |
| Carmicheline | ChemIDplus |
| Karacoline | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| CAS:39089-30-0 | KEGG COMPOUND |
| CAS:39089-30-0 | ChemIDplus |
| Citations |
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