Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:46:04 UTC |
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Updated at | 2021-06-29 23:50:50 UTC |
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NP-MRD ID | NP0025715 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Kuhistanol F |
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Provided By | JEOL Database |
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Description | Kuhistanol F is found in Ferula kuhistanica. It was first documented in 2021 (PMID: 34352916). Based on a literature review a significant number of articles have been published on Kuhistanol F (PMID: 34352711) (PMID: 34352665) (PMID: 34352620) (PMID: 34352577) (PMID: 34352543) (PMID: 34352540). |
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Structure | [H]OC(=O)C1=C([H])C(=C(O[H])C([H])=C1[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@]([H])(C(=O)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C22H30O4/c1-14(5-7-17-13-18(21(25)26)8-10-20(17)24)11-12-22(4)15(2)6-9-19(23)16(22)3/h5,8,10,13,15-16,24H,6-7,9,11-12H2,1-4H3,(H,25,26)/b14-5+/t15-,16+,22+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H30O4 |
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Average Mass | 358.4780 Da |
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Monoisotopic Mass | 358.21441 Da |
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IUPAC Name | 4-hydroxy-3-[(2E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]benzoic acid |
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Traditional Name | 4-hydroxy-3-[(2E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]benzoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]OC(=O)C1=C([H])C(=C(O[H])C([H])=C1[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@]([H])(C(=O)C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C22H30O4/c1-14(5-7-17-13-18(21(25)26)8-10-20(17)24)11-12-22(4)15(2)6-9-19(23)16(22)3/h5,8,10,13,15-16,24H,6-7,9,11-12H2,1-4H3,(H,25,26)/b14-5+/t15-,16+,22+/m1/s1 |
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InChI Key | XTHUWDOULQJWNT-MNGAKZHMSA-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 | 13C NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CD3OD, 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 | Species Name | Source | Reference |
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Ferula kuhistanica | JEOL database | - Chen, B., et al, Chem. Pharm. Bull. 49, 707 (2001)
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Chemical Taxonomy |
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Classification | Not classified |
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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 | - Frenzel F, Bucker A, Paprottka P, Nadjiri J, Mahnken AH, Massmann A, Minko P, Heuser LJ: DeGIR Quality Report 2019: Report on the treatment quality of minimally invasive methods - Interventional therapy (EVAR) of abdominal aortic aneurysms. Rofo. 2021 Aug 5. doi: 10.1055/a-1541-8872. [PubMed:34352916 ]
- Wang R, Li Y, Hu H, Persoons L, Daelemans D, De Jonghe S, Luyten W, Krasniqi B, Dehaen W: Antibacterial and antitumoral properties of 1,2,3-triazolo fused triterpenes and their mechanism of inhibiting the proliferation of HL-60 cells. Eur J Med Chem. 2021 Jul 30;224:113727. doi: 10.1016/j.ejmech.2021.113727. [PubMed:34352711 ]
- Jakobsen AV, Elklit A: Self-control and coping responses are mediating factors between child behavior difficulties and parental stress and family impact in caregivers of children with severe epilepsy. Epilepsy Behav. 2021 Aug 2;122:108224. doi: 10.1016/j.yebeh.2021.108224. [PubMed:34352665 ]
- Packer DT, Geesink GH, Thompson JM, Polkinghorne RJ, Ball AB, McGilchrist P: The impact of different Hormonal Growth Promotants (HGP) on desmin degradation and collagen content of various muscles from pasture and feedlot finished steer carcasses. Meat Sci. 2021 Dec;182:108615. doi: 10.1016/j.meatsci.2021.108615. Epub 2021 Jun 24. [PubMed:34352620 ]
- Olos G, Dolhanczuk-Srodka A: Levels of (137)Cs in game and soil in Opole Anomaly, Poland in 2012-2020. Ecotoxicol Environ Saf. 2021 Aug 2;223:112577. doi: 10.1016/j.ecoenv.2021.112577. [PubMed:34352577 ]
- Han C, Zhu W, Ma G, Chen Y, Li X, Wei X, Yu H: Computational insight into biotransformation of halophenols by cytochrome P450: Mechanism and reactivity for epoxidation. Chemosphere. 2021 Jul 29;286(Pt 2):131708. doi: 10.1016/j.chemosphere.2021.131708. [PubMed:34352543 ]
- Wang W, Mwiathi NF, Li C, Luo W, Zhang X, An Y, Zhang M, Gong P, Liu J, Gao X: Assessment of shallow aquifer vulnerability to fluoride contamination using modified AHP-DRASTICH model as a tool for effective groundwater management, a case study in Yuncheng Basin, China. Chemosphere. 2021 Jul 28;286(Pt 2):131601. doi: 10.1016/j.chemosphere.2021.131601. [PubMed:34352540 ]
- Mujmule RB, Jadhav HS, Kim H: Synergetic effect of ZnCo2O4/inorganic salt as a sustainable catalyst system for CO2 utilization. J Environ Manage. 2021 Nov 15;298:113433. doi: 10.1016/j.jenvman.2021.113433. Epub 2021 Aug 2. [PubMed:34352483 ]
- Surachat K, Deachamag P, Kantachote D, Wonglapsuwan M, Jeenkeawpiam K, Chukamnerd A: In silico comparative genomics analysis of Lactiplantibacillus plantarum DW12, a potential gamma-aminobutyric acid (GABA)-producing strain. Microbiol Res. 2021 Oct;251:126833. doi: 10.1016/j.micres.2021.126833. Epub 2021 Jul 30. [PubMed:34352473 ]
- Momeny M, Neshat AA, Hussain MA, Kia S, Marhamati M, Jahanbakhshi A, Hamarneh G: Learning-to-augment strategy using noisy and denoised data: Improving generalizability of deep CNN for the detection of COVID-19 in X-ray images. Comput Biol Med. 2021 Sep;136:104704. doi: 10.1016/j.compbiomed.2021.104704. Epub 2021 Jul 29. [PubMed:34352454 ]
- Chen, B., et al. (2001). Chen, B., et al, Chem. Pharm. Bull. 49, 707 (2001). Chem. Pharm. Bull..
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