| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 04:26:10 UTC |
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| Update Date | 2016-11-09 01:15:36 UTC |
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| Accession Number | CHEM017528 |
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| Identification |
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| Common Name | Vincamine |
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| Class | Small Molecule |
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| Description | |
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| Contaminant Sources | - STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (+)-Vincamine | ChEBI | | Methyl vincaminate | ChEBI | | Pervincamine | ChEBI | | Vincamidol | ChEBI | | Cetal retard | Kegg | | Methyl vincaminic acid | Generator | | Devincan | MeSH | | Vincimax | MeSH | | Vincapront | MeSH | | Cerebroxine | MeSH |
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| Chemical Formula | C21H26N2O3 |
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| Average Molecular Mass | 354.450 g/mol |
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| Monoisotopic Mass | 354.194 g/mol |
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| CAS Registry Number | 1617-90-9 |
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| IUPAC Name | methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate |
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| Traditional Name | minorin |
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| SMILES | [H][C@]12N3CCC[C@@]1(CC)C[C@@](O)(N1C4=CC=CC=C4C(CC3)=C21)C(=O)OC |
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| InChI Identifier | InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1 |
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| InChI Key | RXPRRQLKFXBCSJ-GIVPXCGWSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as eburnan-type alkaloids. These are alkaloids with a structure based on the eburnan skeleton, that arises from rearrangement of the aspidospermidine ring system, involving migration of C-21 from C-7 to C-2, fission of the 2,16-bond, and attachment of C-16 to N-1. |
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| Kingdom | Organic compounds |
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| Super Class | Alkaloids and derivatives |
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| Class | Eburnan-type alkaloids |
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| Sub Class | Not Available |
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| Direct Parent | Eburnan-type alkaloids |
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| Alternative Parents | |
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| Substituents | - Eburna alkaloid
- Indolo[3,2-1de][1,5]naphthyridine
- Beta-carboline
- Pyridoindole
- Diazanaphthalene
- Alpha-amino acid or derivatives
- Naphthyridine
- 3-alkylindole
- Indole
- Indole or derivatives
- Aralkylamine
- Piperidine
- Benzenoid
- Heteroaromatic compound
- Methyl ester
- Pyrrole
- Amino acid or derivatives
- Carboxylic acid ester
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organoheterocyclic compound
- Alkanolamine
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Carbonyl group
- Organic oxygen compound
- Organooxygen compound
- Amine
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , negative | splash10-0006-0092000000-7408330df526558920e8 | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-000i-0009000000-8f742bc50bb6ffaadcf1 | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-000i-0009000000-e477ed23d437d91bcacc | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Linear Ion Trap , positive | splash10-0a4j-0019000000-856c214b29871969e3ec | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-001c-0593000000-3e0598831094cc184110 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a4i-0009000000-adfe455ebe68aab0602e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-0039000000-1e9ad57cc792b1934924 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0v03-2591000000-aabd3fdb81f6f6a9e6a2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0019000000-0b88703ce9b15874e501 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0fkc-0039000000-74edb4b06081f2184f3b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0292-2090000000-7159fe2550b6e5cad624 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | DB13374 |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | C00001782 |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Vincamine |
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| Chemspider ID | Not Available |
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| ChEBI ID | 9985 |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | C09251 |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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