Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:12:37 UTC |
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Update date | 2019-11-26 03:13:41 UTC |
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Primary ID | FDB016727 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Pteleine |
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Description | Pteleine belongs to the class of organic compounds known as furanoquinolines. Furanoquinolines are compounds containing a furan ring fused to a quinoline. Pteleine has been detected, but not quantified in, herbs and spices. This could make pteleine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Pteleine. |
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CAS Number | 2221-41-2 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C13H11NO3 |
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IUPAC name | 4,6-dimethoxyfuro[2,3-b]quinoline |
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InChI Identifier | InChI=1S/C13H11NO3/c1-15-8-3-4-11-10(7-8)12(16-2)9-5-6-17-13(9)14-11/h3-7H,1-2H3 |
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InChI Key | ALLQMEDAYDKMIO-UHFFFAOYSA-N |
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Isomeric SMILES | COC1=CC2=C(C=C1)N=C1OC=CC1=C2OC |
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Average Molecular Weight | 229.2313 |
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Monoisotopic Molecular Weight | 229.073893223 |
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Classification |
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Description | Belongs to the class of organic compounds known as furanoquinolines. Furanoquinolines are compounds containing a furan ring fused to a quinoline. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolines and derivatives |
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Sub Class | Furanoquinolines |
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Direct Parent | Furanoquinolines |
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Alternative Parents | |
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Substituents | - Furanoquinoline
- Furopyridine
- Anisole
- Alkyl aryl ether
- Pyridine
- Benzenoid
- Furan
- Heteroaromatic compound
- Oxacycle
- Azacycle
- Ether
- Organic oxygen compound
- Organic nitrogen compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Role | Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Pteleine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01rb-0980000000-187105ad5b49a40f9860 | Spectrum | Predicted GC-MS | Pteleine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Pteleine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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MS/MS | LC-MS/MS Spectrum - , positive | splash10-01q0-0980000000-1f2cffa73a14026e5529 | 2017-09-14 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-e3a9eca4891387c54f7d | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-7545a9d198cf4528a135 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uxr-0590000000-1c65ec95373e28d7665e | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-259431dbb10036e5f233 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0090000000-ca87738429dd5480c07f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00xs-0910000000-65ae02ee4b5b80d32fb8 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-ed4a3dc85d622798a3a4 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0290000000-6b2a9e741706df0a1988 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00kb-0910000000-7c7444912942490f7de0 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-ade84bbaac177e7ac3e9 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-ade84bbaac177e7ac3e9 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0590000000-2d4b2ace38b0a93f3d04 | 2021-09-24 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 140372 |
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ChEMBL ID | CHEMBL486165 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 159650 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB37614 |
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CRC / DFC (Dictionary of Food Compounds) ID | GNK63-R:KST08-Y |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | C00026477 |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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