Record Information |
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Version | 1.0 |
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Created at | 2020-11-23 19:39:53 UTC |
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Updated at | 2021-08-19 23:59:20 UTC |
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NP-MRD ID | NP0002766 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-Indanone |
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Provided By | BMRB![BMRB logo](/attributions/logo_bmrb.svg) |
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Description | Indan-2-one, also known as beta-hydrindone, belongs to the class of organic compounds known as indanones. Indanones are compounds containing an indane ring bearing a ketone group. 2-Indanone is found in Apis cerana. It was first documented in 1990 (PMID: 2325154). Based on a literature review very few articles have been published on indan-2-one (PMID: 17984079) (PMID: 7944365). |
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Structure | InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2 |
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Synonyms | Value | Source |
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2-Indanone | ChEBI | beta-Hydrindone | ChEBI | b-Hydrindone | Generator | Β-hydrindone | Generator |
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Chemical Formula | C9H8O |
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Average Mass | 132.1620 Da |
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Monoisotopic Mass | 132.05751 Da |
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IUPAC Name | 2,3-dihydro-1H-inden-2-one |
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Traditional Name | 2-indanone |
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CAS Registry Number | Not Available |
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SMILES | O=C1CC2=CC=CC=C2C1 |
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InChI Identifier | InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2 |
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InChI Key | UMJJFEIKYGFCAT-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 indanones. Indanones are compounds containing an indane ring bearing a ketone group. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Indanes |
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Sub Class | Indanones |
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Direct Parent | Indanones |
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Alternative Parents | |
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Substituents | - Indanone
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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 | Not Available |
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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 | 11488 |
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KEGG Compound ID | C07727 |
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BioCyc ID | 2INDANONE |
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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 | Not Available |
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PDB ID | Not Available |
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ChEBI ID | 27930 |
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Good Scents ID | rw1177081 |
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References |
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General References | - 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 ]
- Serve MP, Ferry MJ, Yu KO, Olson CT, Hobson DW: Metabolism and nephrotoxicity of indan in male Fischer 344 rats. J Toxicol Environ Health. 1990;29(4):409-16. doi: 10.1080/15287399009531401. [PubMed:2325154 ]
- Resnick SM, Torok DS, Lee K, Brand JM, Gibson DT: Regiospecific and stereoselective hydroxylation of 1-indanone and 2-indanone by naphthalene dioxygenase and toluene dioxygenase. Appl Environ Microbiol. 1994 Sep;60(9):3323-8. doi: 10.1128/aem.60.9.3323-3328.1994. [PubMed:7944365 ]
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