Record Information |
---|
Version | 2.0 |
---|
Created at | 2022-06-29 19:34:22 UTC |
---|
Updated at | 2022-06-29 19:34:22 UTC |
---|
NP-MRD ID | NP0138982 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Obscuraminol E |
---|
Description | Obscuraminol E belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. It was first documented in 2022 (PMID: 35863823). Based on a literature review a significant number of articles have been published on Obscuraminol E (PMID: 35863748) (PMID: 35863724) (PMID: 35863721) (PMID: 35863716) (PMID: 35863714). |
---|
Structure | CCCC\C=C\CCCCCCC[C@@H](O)[C@H](C)N InChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h6-7,15-16,18H,3-5,8-14,17H2,1-2H3/b7-6+/t15-,16+/m0/s1 |
---|
Synonyms | Not Available |
---|
Chemical Formula | C16H33NO |
---|
Average Mass | 255.4460 Da |
---|
Monoisotopic Mass | 255.25621 Da |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCC\C=C\CCCCCCC[C@@H](O)[C@H](C)N |
---|
InChI Identifier | InChI=1S/C16H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h6-7,15-16,18H,3-5,8-14,17H2,1-2H3/b7-6+/t15-,16+/m0/s1 |
---|
InChI Key | QNWQYXJJIAXWKD-BUWFCSEKSA-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 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic nitrogen compounds |
---|
Class | Organonitrogen compounds |
---|
Sub Class | Amines |
---|
Direct Parent | 1,2-aminoalcohols |
---|
Alternative Parents | |
---|
Substituents | - Secondary alcohol
- 1,2-aminoalcohol
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Primary aliphatic amine
- Alcohol
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic 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 | - Shi H, Leventhal AM, Wen Q, Ossip DJ, Li D: Sex Differences in the Association of E-cigarette and Cigarette Use and Dual Use With Self-Reported Hypertension Incidence in US Adults. Nicotine Tob Res. 2023 Feb 9;25(3):478-485. doi: 10.1093/ntr/ntac170. [PubMed:35863748 ]
- Zhi J, Duan Q, Wang QY, Du X, Yang D: Dexmedetomidine reduces IL-4 and IgE expression through downregulation of theTLR4/NF-kappaB signaling pathway to alleviate airway hyperresponsiveness in OVA mice. Pulm Pharmacol Ther. 2022 Aug;75:102147. doi: 10.1016/j.pupt.2022.102147. Epub 2022 Jul 19. [PubMed:35863724 ]
- Ozdemir FI, Didem Orhan M, Atasavum ZT, Tulek A: Biochemical characterization and detection of antitumor activity of l-asparaginase from thermophilic Geobacillus kaustophilus DSM 7263(T). Protein Expr Purif. 2022 Nov;199:106146. doi: 10.1016/j.pep.2022.106146. Epub 2022 Jul 19. [PubMed:35863721 ]
- Phujumpa P, Muangham S, Jatuponwiphat T, Koffas M, Nakphaichit M, Vongsangnak W: Comparative genomics-based probiotic relevance of Limosilactobacillus fermentum KUB-D18. Gene. 2022 Oct 5;840:146747. doi: 10.1016/j.gene.2022.146747. Epub 2022 Jul 18. [PubMed:35863716 ]
- Chaithra S, Agarwala S, Ramachandra NB: High-risk genes involved in common septal defects of congenital heart disease. Gene. 2022 Oct 5;840:146745. doi: 10.1016/j.gene.2022.146745. Epub 2022 Jul 18. [PubMed:35863714 ]
|
---|