| Record Information |
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| Version | 2.0 |
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| Created at | 2020-11-23 19:40:10 UTC |
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| Updated at | 2021-08-19 23:59:21 UTC |
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| NP-MRD ID | NP0002777 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 1-Naphthaldehyde |
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| Provided By | BMRB |
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| Description | 1-Naphthaldehyde, also known as alpha-naphthal or 1-formylnaphthalene, 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-Naphthaldehyde exists in all living organisms, ranging from bacteria to humans. 1-Naphthaldehyde 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-Naphthaldehyde is found in Apis cerana and Mus musculus. 1-Naphthaldehyde was first documented in 2014 (PMID: 24377839). Based on a literature review a significant number of articles have been published on 1-Naphthaldehyde (PMID: 33950052) (PMID: 33939104) (PMID: 33860872) (PMID: 33729775) (PMID: 33385450) (PMID: 33301918). |
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| Structure | InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H |
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| Synonyms | | Value | Source |
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| 1-Formylnaphthalene | ChEBI | | 1-Naphthalenecarboxaldehyde | ChEBI | | alpha-Naphthal | ChEBI | | Alphaalpha-naphthaldehyde | ChEBI | | a-Naphthal | Generator | | Α-naphthal | Generator |
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| Chemical Formula | C11H8O |
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| Average Mass | 156.1806 Da |
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| Monoisotopic Mass | 156.05751 Da |
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| IUPAC Name | naphthalene-1-carbaldehyde |
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| Traditional Name | 1-naphthaldehyde |
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| CAS Registry Number | Not Available |
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| SMILES | O=CC1=CC=CC2=CC=CC=C12 |
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| InChI Identifier | InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H |
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| InChI Key | SQAINHDHICKHLX-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, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CDCl3, 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 | Not Available |
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| Substituents | Not Available |
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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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 | HMDB0060325 |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | FDB030250 |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 5960 |
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| KEGG Compound ID | C14090 |
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| BioCyc ID | CPD-7614 |
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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 | 6195 |
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| PDB ID | Not Available |
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| ChEBI ID | 52367 |
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| Good Scents ID | rw1155531 |
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| References |
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| General References | - Knight BJ, Stache EE, Ferreira EM: Complementary stereochemical outcomes in proline-based self-regenerations of stereocenters. Org Lett. 2014 Jan 17;16(2):432-5. doi: 10.1021/ol403320d. Epub 2013 Dec 30. [PubMed:24377839 ]
- Roy P: Recent advances in the development of fluorescent chemosensors for Al(3). Dalton Trans. 2021 Jun 1;50(21):7156-7165. doi: 10.1039/d1dt00901j. [PubMed:33950052 ]
- Kuzhandaivel H, Basha SB, Charles ID, Raju N, Singaravelu U, Sivalingam Nallathambi K: Performance of 2-Hydroxy-1-Naphthaldehyde-2-Amino Thiazole as a Highly Selective Turn-on Fluorescent Chemosensor for Al(III) Ions Detection and Biological Applications. J Fluoresc. 2021 Jul;31(4):1041-1053. doi: 10.1007/s10895-021-02722-3. Epub 2021 May 3. [PubMed:33939104 ]
- Mu X, Shi L, Yan L, Tang N: A 2-Hydroxy-1-naphthaldehyde Schiff Base for Turn-on Fluorescence Detection of Zn(2+) Based on PET Mechanism. J Fluoresc. 2021 Jul;31(4):971-979. doi: 10.1007/s10895-021-02732-1. Epub 2021 Apr 16. [PubMed:33860872 ]
- Yu S, Wang HL, Chen Z, Zou HH, Hu H, Zhu ZH, Liu D, Liang Y, Liang FP: Two Decanuclear Dy(III)xCo(II)10-x (x = 2, 4) Nanoclusters: Structure, Assembly Mechanism, and Magnetic Properties. Inorg Chem. 2021 Apr 5;60(7):4904-4914. doi: 10.1021/acs.inorgchem.0c03814. Epub 2021 Mar 17. [PubMed:33729775 ]
- Khalil TE, Elhusseiny AF, Ibrahim NM, El-Dissouky A: Unexpected effect of magnetic nanoparticles on the performance of aqueous removal of toxic Cr(VI) using modified biopolymer chitosan. Int J Biol Macromol. 2021 Feb 15;170:768-779. doi: 10.1016/j.ijbiomac.2020.12.188. Epub 2020 Dec 29. [PubMed:33385450 ]
- Apaza Ticona L, Rumbero Sanchez A, Sanchez Sanchez-Corral J, Iglesias Moreno P, Ortega Domenech M: Anti-inflammatory, pro-proliferative and antimicrobial potential of the compounds isolated from Daemonorops draco (Willd.) Blume. J Ethnopharmacol. 2021 Mar 25;268:113668. doi: 10.1016/j.jep.2020.113668. Epub 2020 Dec 8. [PubMed:33301918 ]
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