Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-12 16:15:32 UTC |
---|
Updated at | 2022-09-12 16:15:32 UTC |
---|
NP-MRD ID | NP0330679 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | [(1s,5r)-4-oxo-5-pentylcyclopent-2-en-1-yl]acetic acid |
---|
Description | 4,5-Didehydro-9,10-dihydrojasmonic acid belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. It was first documented in 2022 (PMID: 36130802). Based on a literature review a significant number of articles have been published on 4,5-Didehydro-9,10-dihydrojasmonic acid (PMID: 36130727) (PMID: 36130648) (PMID: 36130642) (PMID: 36130465) (PMID: 36130296) (PMID: 36130216). |
---|
Structure | CCCCC[C@@H]1[C@@H](CC(O)=O)C=CC1=O InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)/t9-,10-/m1/s1 |
---|
Synonyms | Value | Source |
---|
4,5-Didehydro-9,10-dihydrojasmonate | Generator |
|
---|
Chemical Formula | C12H18O3 |
---|
Average Mass | 210.2730 Da |
---|
Monoisotopic Mass | 210.12559 Da |
---|
IUPAC Name | 2-[(1S,5R)-4-oxo-5-pentylcyclopent-2-en-1-yl]acetic acid |
---|
Traditional Name | [(1S,5R)-4-oxo-5-pentylcyclopent-2-en-1-yl]acetic acid |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCCC[C@@H]1[C@@H](CC(O)=O)C=CC1=O |
---|
InChI Identifier | InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)/t9-,10-/m1/s1 |
---|
InChI Key | MIIKBIRJDZKJEO-NXEZZACHSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
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 |
---|
|
| Not Available | Species |
---|
Species of Origin | Not Available |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbonyl compounds |
---|
Direct Parent | Cyclic ketones |
---|
Alternative Parents | |
---|
Substituents | - Cyclic ketone
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxide
- Hydrocarbon derivative
- Aliphatic homomonocyclic compound
|
---|
Molecular Framework | Aliphatic homomonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | |
---|
General References | - Ahmad A, Ghufran R: Microbial granules on reactors performance during organic butyrate digestion: clean production. Crit Rev Biotechnol. 2022 Sep 21:1-21. doi: 10.1080/07388551.2022.2103641. [PubMed:36130802 ]
- Trimble JS, Crawshaw R, Hardy FJ, Levy CW, Brown MJB, Fuerst DE, Heyes DJ, Obexer R, Green AP: A Designed Photoenzyme for Enantioselective [2+2]-Cycloadditions. Nature. 2022 Sep 21. pii: 10.1038/s41586-022-05335-3. doi: 10.1038/s41586-022-05335-3. [PubMed:36130727 ]
- Contursi A, Tacconelli S, Hofling U, Bruno A, Dovizio M, Ballerini P, Patrignani P: Biology and pharmacology of platelet-type 12-lipoxygenase in platelets, cancer cells, and their crosstalk. Biochem Pharmacol. 2022 Sep 18;205:115252. doi: 10.1016/j.bcp.2022.115252. [PubMed:36130648 ]
- Brindisi M, Curcio M, Frattaruolo L, Cirillo G, Leggio A, Rago V, Nicoletta FP, Cappello AR, Iemma F: CD44-targeted nanoparticles with GSH-responsive activity as powerful therapeutic agents against breast cancer. Int J Biol Macromol. 2022 Sep 18;221:1491-1503. doi: 10.1016/j.ijbiomac.2022.09.157. [PubMed:36130642 ]
- Grassi A, Cristani C, Palla M, Di Giorgi R, Giovannetti M, Agnolucci M: Storage time and temperature affect microbial dynamics of yeasts and acetic acid bacteria in a kombucha beverage. Int J Food Microbiol. 2022 Sep 16;382:109934. doi: 10.1016/j.ijfoodmicro.2022.109934. [PubMed:36130465 ]
- Kerr BJ, Trachsel JM, Bearson BL, Loving CL, Bearson SMD, Byrne KA, Pearce SC, Ramirez SM, Gabler NK, Schweer WP, Helm ET, de Mille CM: Evaluation of digestively resistant or soluble fibers, short- and medium-chain fatty acids, trace minerals, and antibiotics in non-challenged nursery pigs on performance, digestibility, and intestinal integrity. J Anim Sci. 2022 Sep 21. pii: 6709322. doi: 10.1093/jas/skac282. [PubMed:36130296 ]
- Seo B, Yang K, Kahe K, Qureshi AA, Chan AT, De Vivo I, Cho E, Giovannucci EL, Nan H: Association of omega-3 and omega-6 fatty acid intake with leukocyte telomere length in US males. Am J Clin Nutr. 2022 Sep 20. pii: 6708365. doi: 10.1093/ajcn/nqac263. [PubMed:36130216 ]
- Smith LJ, Bolsinger MM, Chau KY, Gegg ME, Schapira AHV: The GBA variant E326K is associated with alpha-synuclein aggregation and lipid droplet accumulation in human cell lines. Hum Mol Genet. 2022 Sep 20. pii: 6708353. doi: 10.1093/hmg/ddac233. [PubMed:36130205 ]
- Liu X, Zhang X, Khakhulin D, Su P, Wulff M, Baudelet F, Weng TC, Kong Q, Sun Y: Deciphering Photochemical Reaction Pathways of Aqueous Tetrachloroauric Acid by X-ray Transient Absorption Spectroscopy. J Phys Chem Lett. 2022 Sep 29;13(38):8921-8927. doi: 10.1021/acs.jpclett.2c02335. Epub 2022 Sep 21. [PubMed:36130195 ]
- Zibako P, Tsikai N, Manyame S, Ginindza TG: Cervical cancer management in Zimbabwe (2019-2020). PLoS One. 2022 Sep 21;17(9):e0274884. doi: 10.1371/journal.pone.0274884. eCollection 2022. [PubMed:36129898 ]
- LOTUS database [Link]
|
---|