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CHEBI:70507 - (−)-vincadifformine
| Formula | C21H26N2O2 |
| Net Charge | 0 |
| Average Mass | 338.451 |
| Monoisotopic Mass | 338.19943 |
| SMILES | [H][C@]12N3CCC[C@@]1(CC)CC(C(=O)OC)=C1Nc4ccccc4[C@@]12CC3 |
| InChI | InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m0/s1 |
| InChIKey | GIGFIWJRTMBSRP-ACRUOGEOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alstonia spatulata (IPNI:76595-1) | leaf (BTO:0000713) | PubMed (21043460) | Extraction of leaves with concentrated EtOH with dilute acids |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-vincadifformine (CHEBI:70507) has role antiplasmodial drug (CHEBI:64915) |
| (−)-vincadifformine (CHEBI:70507) has role plant metabolite (CHEBI:76924) |
| (−)-vincadifformine (CHEBI:70507) is a Aspidosperma alkaloid (CHEBI:142772) |
| (−)-vincadifformine (CHEBI:70507) is a methyl ester (CHEBI:25248) |
| (−)-vincadifformine (CHEBI:70507) is a organic heteropentacyclic compound (CHEBI:38164) |
| (−)-vincadifformine (CHEBI:70507) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| (−)-vincadifformine (CHEBI:70507) is a secondary amino compound (CHEBI:50995) |
| (−)-vincadifformine (CHEBI:70507) is a tertiary amino compound (CHEBI:50996) |
| (−)-vincadifformine (CHEBI:70507) is conjugate base of (−)-vincadifformine(1+) (CHEBI:142771) |
| (−)-vincadifformine (CHEBI:70507) is enantiomer of (+)-vincadifformine (CHEBI:142834) |
| Incoming Relation(s) |
| (−)-vincadifformine(1+) (CHEBI:142771) is conjugate acid of (−)-vincadifformine (CHEBI:70507) |
| (+)-vincadifformine (CHEBI:142834) is enantiomer of (−)-vincadifformine (CHEBI:70507) |
| IUPAC Name |
|---|
| methyl (5α,12β,19α)-2,3-didehydroaspidospermidine-3-carboxylate |
| Synonyms | Source |
|---|---|
| 6,7-dihydrotabersonine | ChEBI |
| vincadifformine | ChEBI |
| aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methylester, (5alpha,12beta,19alpha)- | ChEBI |
| (5α,12β,19α)-2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester | ChEBI |
| methyl (5S,12R,19S)-2,3-didehydroaspidospermidine-3-carboxylate | ChEBI |
| Citations |
|---|