Record Information |
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Version | 2.0 |
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Created at | 2022-09-10 22:04:03 UTC |
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Updated at | 2022-09-10 22:04:03 UTC |
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NP-MRD ID | NP0305903 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2r)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid |
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Description | (+)-Chizhine D belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. (2r)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid is found in Ganoderma applanatum. It was first documented in 2022 (PMID: 36116068). Based on a literature review a significant number of articles have been published on (+)-chizhine D (PMID: 36115982) (PMID: 36115990) (PMID: 36115993) (PMID: 36115959). |
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Structure | CC(C)=CCC[C@H](CC(=O)C1=CC(O)=CC=C1O)C(O)=O InChI=1S/C16H20O5/c1-10(2)4-3-5-11(16(20)21)8-15(19)13-9-12(17)6-7-14(13)18/h4,6-7,9,11,17-18H,3,5,8H2,1-2H3,(H,20,21)/t11-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C16H20O5 |
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Average Mass | 292.3310 Da |
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Monoisotopic Mass | 292.13107 Da |
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IUPAC Name | (2R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid |
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Traditional Name | (2R)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6-methylhept-5-enoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=CCC[C@H](CC(=O)C1=CC(O)=CC=C1O)C(O)=O |
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InChI Identifier | InChI=1S/C16H20O5/c1-10(2)4-3-5-11(16(20)21)8-15(19)13-9-12(17)6-7-14(13)18/h4,6-7,9,11,17-18H,3,5,8H2,1-2H3,(H,20,21)/t11-/m1/s1 |
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InChI Key | LDHARSAUIVWVIT-LLVKDONJSA-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 alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbonyl compounds |
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Direct Parent | Alkyl-phenylketones |
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Alternative Parents | |
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Substituents | - Alkyl-phenylketone
- Prenylbenzoquinol
- Butyrophenone
- Aromatic monoterpenoid
- Monocyclic monoterpenoid
- Monoterpenoid
- Medium-chain keto acid
- Benzoyl
- Gamma-keto acid
- Hydroquinone
- Aryl alkyl ketone
- Methyl-branched fatty acid
- Branched fatty acid
- 1-hydroxy-2-unsubstituted benzenoid
- Hydroxy fatty acid
- Phenol
- Keto acid
- Monocyclic benzene moiety
- Unsaturated fatty acid
- Fatty acyl
- Benzenoid
- Vinylogous acid
- Carboxylic acid
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organic oxide
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic 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 | - Anraku T: Anoxia/reoxygenation enhances spontaneous contractile activity via TRPA1 channel and COX2 activation in isolated rat whole bladder. Neurourol Urodyn. 2022 Sep 18. doi: 10.1002/nau.25045. [PubMed:36116068 ]
- Gholami A, Dabbaghmanesh MH, Ghasemi Y, Koohpeyma F, Talezadeh P, Montazeri-Najafabady N: The ameliorative role of specific probiotic combinations on bone loss in the ovariectomized rat model. BMC Complement Med Ther. 2022 Sep 17;22(1):241. doi: 10.1186/s12906-022-03713-y. [PubMed:36115982 ]
- Sharawy HA, Hegab AO, Risha EF, El-Adl M, Soliman WT, Gohar MA, Fahmy RA, Farag VM, Imakawa K, Bazer FW, James D, Zaghloul A, Abdalla AA, Rabie MM, Elmetwally MA: The vaginal and uterine blood flow changes during the ovsynch program and its impact on the pregnancy rates in Holstein dairy cows. BMC Vet Res. 2022 Sep 17;18(1):350. doi: 10.1186/s12917-022-03444-9. [PubMed:36115990 ]
- Wu Y, Zheng X, Sun C, Wang S, Ding S, Wu M, Zhang J, Wang B, Xue L, Yang L, Tian Y, Xie Y: Hyperthermic intraperitoneal chemotherapy for patients with gastric cancer based on laboratory tests is safe: a single Chinese center analysis. BMC Surg. 2022 Sep 18;22(1):342. doi: 10.1186/s12893-022-01795-6. [PubMed:36115993 ]
- Siddiqui NZ, Rehman AU, Yousuf W, Khan AI, Farooqui NA, Zang S, Xin Y, Wang L: Effect of crude polysaccharide from seaweed, Dictyopteris divaricata (CDDP) on gut microbiota restoration and anti-diabetic activity in streptozotocin (STZ)-induced T1DM mice. Gut Pathog. 2022 Sep 17;14(1):39. doi: 10.1186/s13099-022-00512-1. [PubMed:36115959 ]
- LOTUS database [Link]
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