| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:01:48 UTC |
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| Update Date | 2016-11-09 01:15:44 UTC |
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| Accession Number | CHEM018144 |
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| Identification |
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| Common Name | (-)-Eburnamonine |
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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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| Cervoxan | Kegg | | (-)-Eburnamonine | MeSH | | Eburnamonine phosphate, (3alpha,16alpha)-isomer | MeSH | | Eburnamonine | MeSH | | Eburnamonine monohydrochloride, (3alpha,16alpha)-isomer | MeSH | | Eburnamonine, (3alpha,16alpha)-isomer | MeSH |
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| Chemical Formula | C19H22N2O |
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| Average Molecular Mass | 294.398 g/mol |
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| Monoisotopic Mass | 294.173 g/mol |
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| CAS Registry Number | 4880-88-0 |
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| IUPAC Name | (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraen-17-one |
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| Traditional Name | vinburnine |
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| SMILES | [H][C@]12N3CCC[C@@]1(CC)CC(=O)N1C4=CC=CC=C4C(CC3)=C21 |
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| InChI Identifier | InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1 |
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| InChI Key | WYJAPUKIYAZSEM-MOPGFXCFSA-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
- Naphthyridine
- 3-alkylindole
- Indole
- Indole or derivatives
- Aralkylamine
- Piperidine
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Tertiary amine
- Lactam
- Tertiary aliphatic amine
- Azacycle
- Organoheterocyclic compound
- Amine
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- 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 - LC-ESI-qTof , Positive | splash10-000b-2790000000-d9b39542541cd67b85fa | Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - , positive | splash10-000b-2790000000-d9b39542541cd67b85fa | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0090000000-13f9d8889268d6881423 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0090000000-c00308b130e91cfa6bf6 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0v00-0090000000-eba88d12e6c6482c7909 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0090000000-2de3698bc1b14beaffcc | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-1090000000-373e991dfa5140c62e0f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-02dj-4090000000-550185cccc74ff4b15f2 | 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 | DB13793 |
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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 | C00001714 |
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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 | Vinburnine |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 71203 |
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| Kegg Compound ID | C09149 |
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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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