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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110073 |
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Identification |
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| Name: |
2-heptyl-4(1H)-quinolone |
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| Description: | A quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2. |
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Structure |
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| Synonyms: | |
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Chemical Formula: |
C16H21NO
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| Average Molecular Weight: |
243.1623143014 |
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| Monoisotopic Molecular
Weight: |
243.1623143014 |
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| InChI Key: |
UYRHHBXYXSYGHA-UHFFFAOYSA-N |
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| InChI: |
InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18) |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-heptylquinolin-4(1H)-one |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CCCCCCCC1(=CC(=O)C2(=C(N1)C=CC=C2)) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
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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 | Quinolones and derivatives |
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Direct Parent |
Hydroquinolones |
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| Alternative Parents |
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| Substituents |
- Dihydroquinolone
- Dihydroquinoline
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Vinylogous amide
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
- quinolone (CHEBI:62219)
- a tautomer (CPD-12836)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
- 2-heptyl-3-hydroxy-4(1H)-quinolone biosynthesisPWY-6660
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- Ha DG, Merritt JH, Hampton TH, Hodgkinson JT, Janecek M, Spring DR, Welch M, O'Toole GA (2011)2-Heptyl-4-quinolone, a precursor of the Pseudomonas quinolone signal molecule, modulates swarming motility in Pseudomonas aeruginosa. Journal of bacteriology 193, Pubmed: 21965567
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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