Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 20:49:12 UTC |
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Updated at | 2022-09-07 20:49:12 UTC |
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NP-MRD ID | NP0256099 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2r)-2-[(1r,3ar,4r,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid |
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Description | Laetiposide E belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (2r)-2-[(1r,3ar,4r,5ar,7s,9as,11ar)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid is found in Laetiporus sulphureus. It was first documented in 2022 (PMID: 36100347). Based on a literature review a significant number of articles have been published on Laetiposide E (PMID: 36100248) (PMID: 36100127) (PMID: 36100343) (PMID: 36100329) (PMID: 36100219) (PMID: 36100208). |
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Structure | CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C(O)=O InChI=1S/C36H58O8/c1-19(2)20(3)9-10-21(31(41)42)22-11-16-36(8)28-23(12-15-35(22,36)7)34(6)14-13-27(38)33(4,5)26(34)17-25(28)44-32-30(40)29(39)24(37)18-43-32/h19,21-22,24-27,29-30,32,37-40H,3,9-18H2,1-2,4-8H3,(H,41,42)/t21-,22-,24-,25-,26+,27+,29+,30-,32+,34-,35-,36+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C36H58O8 |
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Average Mass | 618.8520 Da |
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Monoisotopic Mass | 618.41317 Da |
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IUPAC Name | (2R)-2-[(2S,5S,7R,9R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyl-9-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-6-methyl-5-methylideneheptanoic acid |
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Traditional Name | (2R)-2-[(2S,5S,7R,9R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyl-9-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-6-methyl-5-methylideneheptanoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C(O)=O |
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InChI Identifier | InChI=1S/C36H58O8/c1-19(2)20(3)9-10-21(31(41)42)22-11-16-36(8)28-23(12-15-35(22,36)7)34(6)14-13-27(38)33(4,5)26(34)17-25(28)44-32-30(40)29(39)24(37)18-43-32/h19,21-22,24-27,29-30,32,37-40H,3,9-18H2,1-2,4-8H3,(H,41,42)/t21-,22-,24-,25-,26+,27+,29+,30-,32+,34-,35-,36+/m1/s1 |
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InChI Key | HDOFFHWEALRKKU-WSFPQHQXSA-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 triterpenoids. These are terpene molecules containing six isoprene units. |
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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 | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- Monohydroxy bile acid, alcohol, or derivatives
- Hydroxy bile acid, alcohol, or derivatives
- Bile acid, alcohol, or derivatives
- Steroid acid
- 3-hydroxysteroid
- Hydroxysteroid
- 14-alpha-methylsteroid
- 3-beta-hydroxysteroid
- Steroid
- O-glycosyl compound
- Glycosyl compound
- Medium-chain fatty acid
- Hydroxy fatty acid
- Unsaturated fatty acid
- Oxane
- Monosaccharide
- Fatty acid
- Fatty acyl
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid
- Carboxylic acid derivative
- Acetal
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organic oxide
- Alcohol
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic 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 | - Lu JG, Benet-Martinez V, Wang LC: A Socioecological-Genetic Framework of Culture and Personality: Their Roots, Trends, and Interplay. Annu Rev Psychol. 2022 Sep 13. doi: 10.1146/annurev-psych-032420-032631. [PubMed:36100248 ]
- Mirakhur M, Diener M: Proteinase-activated receptors regulate intestinal functions in a segment-dependent manner in rats. Eur J Pharmacol. 2022 Oct 15;933:175264. doi: 10.1016/j.ejphar.2022.175264. Epub 2022 Sep 12. [PubMed:36100127 ]
- Diaz Ochoa JG, Mustafa FE: Graph neural network modelling as a potentially effective method for predicting and analyzing procedures based on patients' diagnoses. Artif Intell Med. 2022 Sep;131:102359. doi: 10.1016/j.artmed.2022.102359. Epub 2022 Jul 19. [PubMed:36100347 ]
- Yu T, Lin N, Zhang X, Pan Y, Hu H, Zheng W, Liu J, Hu W, Duan H, Si J: An end-to-end tracking method for polyp detectors in colonoscopy videos. Artif Intell Med. 2022 Sep;131:102363. doi: 10.1016/j.artmed.2022.102363. Epub 2022 Jul 14. [PubMed:36100343 ]
- Bi C, Zhou S, Liu X, Zhu Y, Yu J, Zhang X, Shi M, Wu R, He H, Zhan C, Lin Y, Shen B: NDDRF: A risk factor knowledgebase for personalized prevention of neurodegenerative diseases. J Adv Res. 2022 Sep;40:223-231. doi: 10.1016/j.jare.2021.06.015. Epub 2021 Jun 20. [PubMed:36100329 ]
- Ji RR: Specialized Pro-Resolving Mediators as Resolution Pharmacology for the Control of Pain and Itch. Annu Rev Pharmacol Toxicol. 2023 Jan 20;63:273-293. doi: 10.1146/annurev-pharmtox-051921-084047. Epub 2022 Sep 13. [PubMed:36100219 ]
- Osorno-Covarrubias L, Villegas-Silva R, Vega AS, Vazquez-Cortes FJ, Muro-Flores RH, Martinez-Sanchez D: Perception of neonatology staff regarding the availability of equipment and supplies for the care of patients in need of nCPAP. Bol Med Hosp Infant Mex. 2022;79(4):237-247. doi: 10.24875/BMHIM.21000225. [PubMed:36100208 ]
- Jadhav DA, Chendake AD, Vinayak V, Atabani A, Ali Abdelkareem M, Chae KJ: Scale-up of the bioelectrochemical system: Strategic perspectives and normalization of performance indices. Bioresour Technol. 2022 Nov;363:127935. doi: 10.1016/j.biortech.2022.127935. Epub 2022 Sep 10. [PubMed:36100187 ]
- Bello-Lopez JM, Cruz-Cruz C, Loyola-Cruz MA, Quiroga-Vargas E, Martinez-Figueroa C, Cureno-Diaz MA, Fernandez-Sanchez V, Ibanez-Cervantes G, Duran-Manuel EM: Epidemiology of the first seven years of national surveillance of amoebic liver abscesses in Mexico. Parasitol Int. 2023 Feb;92:102678. doi: 10.1016/j.parint.2022.102678. Epub 2022 Sep 11. [PubMed:36100178 ]
- Bai L, Tachibana K, Murata M, Inoue T, Mizuguchi H, Maeda S, Ikemura K, Okuda M, Kusakabe T, Kondoh M: A doxycycline-inducible CYP3A4-Caco-2 cell line as a model for evaluating safety of aflatoxin B1 in the human intestine. Toxicol Lett. 2022 Nov 1;370:1-6. doi: 10.1016/j.toxlet.2022.09.005. Epub 2022 Sep 12. [PubMed:36100150 ]
- Rakib Hasan Khan M, Shankar Hazra R, Nair G, Mohammad J, Jiang L, Reindl K, Khalid Jawed M, Ganai S, Quadir M: Cellulose nanofibers as Scaffold-forming materials for thin film drug delivery systems. Int J Pharm. 2022 Nov 5;627:122189. doi: 10.1016/j.ijpharm.2022.122189. Epub 2022 Sep 11. [PubMed:36100147 ]
- Neuhuber WL, Berthoud HR: Functional anatomy of the vagus system: How does the polyvagal theory comply? Biol Psychol. 2022 Oct;174:108425. doi: 10.1016/j.biopsycho.2022.108425. Epub 2022 Sep 12. [PubMed:36100134 ]
- Silva Filho BF, Filipak Neto F, Marchi M, Moggio EL, Rossi IV, Sabatke B, Ramirez MI, Lucena MCDS, Todeschini AR, Oliveira Ribeiro CA: BDE-209 and TCDD enhance metastatic characteristics of melanoma cells after chronic exposure. Environ Pollut. 2022 Nov 15;313:120140. doi: 10.1016/j.envpol.2022.120140. Epub 2022 Sep 10. [PubMed:36100121 ]
- Wang Q, Olesen AK, Maccario L, Madsen JS: An easily modifiable conjugative plasmid for studying horizontal gene transfer. Plasmid. 2022 Sep-Nov;123-124:102649. doi: 10.1016/j.plasmid.2022.102649. Epub 2022 Sep 11. [PubMed:36100085 ]
- Harshaw C, Warner AG: Interleukin-1beta-induced inflammation and acetaminophen during infancy: Distinct and interactive effects on social-emotional and repetitive behavior in C57BL/6J mice. Pharmacol Biochem Behav. 2022 Oct;220:173463. doi: 10.1016/j.pbb.2022.173463. Epub 2022 Sep 11. [PubMed:36100070 ]
- LOTUS database [Link]
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