Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:42:02 UTC |
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Updated at | 2021-08-12 19:52:20 UTC |
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NP-MRD ID | NP0002852 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 1-Naphthalenemethanol |
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Provided By | BMRB |
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Description | 1-Hydroxymethylnaphthalene, also known as 1-naphthalenemethanol or 1-menaphthyl alcohol, belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 1-Hydroxymethylnaphthalene exists in all living organisms, ranging from bacteria to humans. 1-Hydroxymethylnaphthalene is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. 1-Naphthalenemethanol is found in Mus musculus. It was first documented in 1970 (PMID: 5476720). Based on a literature review very few articles have been published on 1-Hydroxymethylnaphthalene (PMID: 21447597) (PMID: 17984079). |
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Structure | InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2 |
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Synonyms | Value | Source |
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1-Menaphthyl alcohol | ChEBI | 1-Naphthalenemethanol | ChEBI | 1-Naphthylmethyl alcohol | ChEBI | Naphthalene-1-methanol | ChEBI | 1-Naphthylmethanol | HMDB |
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Chemical Formula | C11H10O |
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Average Mass | 158.1965 Da |
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Monoisotopic Mass | 158.07316 Da |
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IUPAC Name | naphthalen-1-ylmethanol |
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Traditional Name | 1-naphthalenemethanol |
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CAS Registry Number | Not Available |
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SMILES | OCC1=CC=CC2=CC=CC=C12 |
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InChI Identifier | InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2 |
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InChI Key | PBLNHHSDYFYZNC-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, 500 MHz, ethanol, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, ethanol, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, ethanol, experimental) | 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 | Belongs to the class of organic compounds known as naphthalenes. Naphthalenes 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
- Organic oxygen compound
- Hydrocarbon derivative
- Aromatic alcohol
- Primary alcohol
- Organooxygen compound
- Alcohol
- 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 | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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External Links |
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HMDB ID | HMDB0060322 |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 19669 |
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KEGG Compound ID | C14089 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 20908 |
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PDB ID | Not Available |
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ChEBI ID | 38137 |
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Good Scents ID | Not Available |
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References |
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General References | - Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]
- 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 ]
- Clapp JJ, Young L: Formation of mercapturic acids in rats after the administration of aralkyl esters. Biochem J. 1970 Aug;118(5):765-71. doi: 10.1042/bj1180765. [PubMed:5476720 ]
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