Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:40:16 UTC |
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Updated at | 2021-08-19 23:59:22 UTC |
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NP-MRD ID | NP0002781 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-Methylnaphthalene |
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Provided By | BMRB![BMRB logo](/attributions/logo_bmrb.svg) |
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Description | 2-Methylnaphthalene exists in all living organisms, ranging from bacteria to humans. 2-Methylnaphthalene is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. 2-Methylnaphthalene is found in Aspalathus linearis, Carica papaya , Cecropia pachystachya, Gossypium hirsutum, Persicaria lapathifolia, Phaseolus vulgaris, Prunus dulcis and Zea mays. It was first documented in 2008 (PMID: 17984079). Based on a literature review a small amount of articles have been published on 2-Methylnaphthalene (PMID: 22324881) (PMID: 21478643) (PMID: 22002322) (PMID: 24117136). |
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Structure | InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3 |
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Synonyms | Value | Source |
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beta-Methylnaphthalene | ChEBI | b-Methylnaphthalene | Generator | Β-methylnaphthalene | Generator | 2-Methylnaphthalene, methyl-13C-labeled | MeSH | 2-Methylnaphthalene, ion(1+) | MeSH | 2-Methylnaphthalene, ion(1-) | MeSH | 2-Methylnaphthalene, lithium salt, ion(1-) | MeSH | 2-Methylnaphthalene, naphthalene-1-(13)C-labeled | MeSH |
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Chemical Formula | C11H10 |
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Average Mass | 142.1971 Da |
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Monoisotopic Mass | 142.07825 Da |
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IUPAC Name | 2-methylnaphthalene |
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Traditional Name | 2-methylnaphthalene |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC=C2C=CC=CC2=C1 |
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InChI Identifier | InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3 |
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InChI Key | QIMMUPPBPVKWKM-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Naphthalenes |
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Sub Class | Not Available |
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Direct Parent | Naphthalenes |
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Alternative Parents | |
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Substituents | - Naphthalene
- Aromatic hydrocarbon
- Polycyclic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Experimental Properties | |
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Predicted Properties | |
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External Links |
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HMDB ID | HMDB0062000 |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | FDB007631 |
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KNApSAcK ID | C00052653 |
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Chemspider ID | 6788 |
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KEGG Compound ID | C14098 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | 2-Methylnaphthalene |
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METLIN ID | Not Available |
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PubChem Compound | Not Available |
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PDB ID | Not Available |
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ChEBI ID | 50720 |
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Good Scents ID | rw1179161 |
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References |
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General References | - Berdugo-Clavijo C, Dong X, Soh J, Sensen CW, Gieg LM: Methanogenic biodegradation of two-ringed polycyclic aromatic hydrocarbons. FEMS Microbiol Ecol. 2012 Jul;81(1):124-33. doi: 10.1111/j.1574-6941.2012.01328.x. Epub 2012 Mar 8. [PubMed:22324881 ]
- Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
- Stancu MM, Grifoll M: Multidrug resistance in hydrocarbon-tolerant Gram-positive and Gram-negative bacteria. J Gen Appl Microbiol. 2011;57(1):1-18. doi: 10.2323/jgam.57.1. [PubMed:21478643 ]
- Swiercz R, Wasowicz W, Stetkiewicz J, Gromadzinska J, Majcherek W: 4-Week inhalation toxicity of 2-methylnaphthalene in experimental animals. Int J Occup Med Environ Health. 2011 Dec;24(4):399-408. doi: 10.2478/s13382-011-0036-9. Epub 2011 Oct 14. [PubMed:22002322 ]
- Friha H, Feraud G, Troy T, Falvo C, Parneix P, Brechignac P, Dhaouadi Z, Schmidt TW, Pino T: Visible photodissociation spectra of the 1- and 2-methylnaphthalene cations: laser spectroscopy and theoretical simulations. J Phys Chem A. 2013 Dec 19;117(50):13664-72. doi: 10.1021/jp407627x. Epub 2013 Oct 31. [PubMed:24117136 ]
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