Record Information |
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Version | 1.0 |
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Created at | 2022-09-02 01:30:09 UTC |
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Updated at | 2022-09-02 01:30:10 UTC |
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NP-MRD ID | NP0146162 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2-isopropyl-5-methylcyclohexyl)acetic acid |
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Description | P-menthan-3-yl-acetic acid belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. (2-isopropyl-5-methylcyclohexyl)acetic acid is found in Mentha aquatica, Mentha longifolia and Minthostachys mollis. It was first documented in 2022 (PMID: 36049878). Based on a literature review a significant number of articles have been published on p-menthan-3-yl-acetic acid (PMID: 36049770) (PMID: 36049728) (PMID: 36049714) (PMID: 36049712) (PMID: 36049693) (PMID: 36049690). |
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Structure | InChI=1S/C12H22O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14) |
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Synonyms | Value | Source |
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p-Menthan-3-yl-acetate | Generator |
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Chemical Formula | C12H22O2 |
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Average Mass | 198.3060 Da |
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Monoisotopic Mass | 198.16198 Da |
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IUPAC Name | 2-[5-methyl-2-(propan-2-yl)cyclohexyl]acetic acid |
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Traditional Name | (2-isopropyl-5-methylcyclohexyl)acetic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(C)C1CCC(C)CC1CC(O)=O |
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InChI Identifier | InChI=1S/C12H22O2/c1-8(2)11-5-4-9(3)6-10(11)7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14) |
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InChI Key | BWILOKXTGAEHCY-UHFFFAOYSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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 menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Monoterpenoids |
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Direct Parent | Menthane monoterpenoids |
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Alternative Parents | |
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Substituents | - P-menthane monoterpenoid
- Monocyclic monoterpenoid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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 | 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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General References | - Sharma R, Huang Y, Dizdarevic A: Blood Conservation Techniques and Strategies in Orthopedic Anesthesia Practice. Anesthesiol Clin. 2022 Sep;40(3):511-527. doi: 10.1016/j.anclin.2022.06.002. Epub 2022 Jul 12. [PubMed:36049878 ]
- Gould HP, Rate WR 4th, Harrell RA, Abbasi P, Fillar AL: Effect of Poly-L-Lactic Acid Mesh Augmentation on Cyclic Gap Formation in Transosseous Patellar Tendon Repair: A Biomechanical Study. J Knee Surg. 2022 Sep 1. doi: 10.1055/s-0042-1755374. [PubMed:36049770 ]
- Shartau RB, Harter TS, Baker DW, Aboagye DL, Allen PJ, Val AL, Crossley DA 2nd, Kohl ZF, Hedrick MS, Damsgaard C, Brauner CJ: Acute CO2 tolerance in fishes is associated with air breathing but not the Root effect, red cell betaNHE, or habitat. Comp Biochem Physiol A Mol Integr Physiol. 2022 Dec;274:111304. doi: 10.1016/j.cbpa.2022.111304. Epub 2022 Aug 30. [PubMed:36049728 ]
- Cao J, Xu C, Zhou R, Duan G, Lin A, Yang X, You S, Zhou Y, Yang G: Potato peel waste for fermentative biohydrogen production using different pretreated culture. Bioresour Technol. 2022 Oct;362:127866. doi: 10.1016/j.biortech.2022.127866. Epub 2022 Aug 29. [PubMed:36049714 ]
- Yu H, Zhang F, Li L, Wang H, Jia Z, Sun Y, Jiang E, Xu X: Promotion of biomass pyrolytic saccharification and lignin depolymerization via nucleophilic reagents quenching of the carbonium ions. Bioresour Technol. 2022 Nov;363:127876. doi: 10.1016/j.biortech.2022.127876. Epub 2022 Aug 29. [PubMed:36049712 ]
- Su Y, Sun S, Liu Q, Zhao C, Li L, Chen S, Chen H, Wang Y, Tang F: Characterization of the simultaneous degradation of pyrene and removal of Cr(VI) by a bacteria consortium YH. Sci Total Environ. 2022 Dec 20;853:158388. doi: 10.1016/j.scitotenv.2022.158388. Epub 2022 Aug 29. [PubMed:36049693 ]
- Wang J, Liu Y, Luo W, Wang X, Liao R, Yu S, Hong M, Zhao C, Yang B, Liu Y, Liu X, Qiu G: Inhibition of humic acid on copper pollution caused by chalcopyrite biooxidation. Sci Total Environ. 2022 Dec 10;851(Pt 2):158200. doi: 10.1016/j.scitotenv.2022.158200. Epub 2022 Aug 29. [PubMed:36049690 ]
- Bian K, Hu B, Jiang H, Zhang Y, Wang H, Wang C: Is the presence of Cu(II) and p-benzoquinone a challenge for the removal of microplastics from landfill leachate? Sci Total Environ. 2022 Dec 10;851(Pt 2):158395. doi: 10.1016/j.scitotenv.2022.158395. Epub 2022 Aug 29. [PubMed:36049677 ]
- Edwards SJ, Carter S, Nicholson T, Allen SL, Morgan PT, Jones SW, Rendeiro C, Breen L: (-)-Epicatechin and its colonic metabolite hippuric acid protect against dexamethasone-induced atrophy in skeletal muscle cells. J Nutr Biochem. 2022 Dec;110:109150. doi: 10.1016/j.jnutbio.2022.109150. Epub 2022 Aug 30. [PubMed:36049668 ]
- Tandon R, Reyaz E, Roshanara, Jadhav M, Gandhi M, Dey R, Salotra P, Nakhasi HL, Selvapandiyan A: Identification of protein biomarkers of attenuation and immunogenicity of centrin or p27 gene deleted live vaccine candidates of Leishmania against visceral leishmaniasis. Parasitol Int. 2022 Aug 29;92:102661. doi: 10.1016/j.parint.2022.102661. [PubMed:36049661 ]
- LOTUS database [Link]
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