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CHEBI:141967 - voachalotine
| Formula | C22H26N2O3 |
| Net Charge | 0 |
| Average Mass | 366.461 |
| Monoisotopic Mass | 366.19434 |
| SMILES | [H][C@@]12C[C@@]3([H])/C(=C\C)CN1[C@@]([H])(Cc1c2n(C)c2ccccc12)[C@]3(CO)C(=O)OC |
| InChI | InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18-,19-,22+/m0/s1 |
| InChIKey | IWEYXWIPVZEVPT-VQVRLUHXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tabernaemontana catharinensis (ncbitaxon:403124) | |||
| aerial part (BTO:0001658) | PubMed (23983637) | ||
| root (BTO:0001188) | PubMed (21892126) | ||
| Tabernaemontana australis (IPNI:315554-2) | - | PubMed (15911323) | |
| Neisosperma acuminatum (ncbitaxon:453904) | root (BTO:0001188) | PubMed (15497947) | |
| Ervatamia officinalis (IPNI:78954-1) | - | PubMed (17253850) | |
| Ochrosia acuminata (IPNI:80487-1) | root (BTO:0001188) | PubMed (15497947) | |
| Tabernaemontana buchtieni (ncbitaxon:52860) | bark (BTO:0001301) | Article (Azoug, M., Loukaci, A., Richard, B., Nuzillard, J.M., Moreti, C., Hanrot, M.Z. and Olivier, L.L.M. (1995) Alkaloids from stem bark and leaves of Peschiera buchtieni. Phytochemistry, 39(8), 1223-1228.) | Isolated from stem bark. |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | 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) |
| voachalotine (CHEBI:141967) is a methyl ester (CHEBI:25248) |
| voachalotine (CHEBI:141967) is a monoterpenoid indole alkaloid (CHEBI:65323) |
| voachalotine (CHEBI:141967) is a organic heteropentacyclic compound (CHEBI:38164) |
| voachalotine (CHEBI:141967) is a primary alcohol (CHEBI:15734) |
| voachalotine (CHEBI:141967) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| methyl (19E)-16-(hydroxymethyl)-1-methylsarpagan-17-oate |
| Synonyms | Source |
|---|---|
| voachalotin | ChEBI |
| voachalotine | ChemIDplus |
| Citations |
|---|