Record Information |
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Version | 1.0 |
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Created at | 2022-06-29 17:28:42 UTC |
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Updated at | 2022-06-29 17:28:42 UTC |
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NP-MRD ID | NP0138420 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | CBGB |
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Description | It was first documented in 2022 (PMID: 35850976). Based on a literature review very few articles have been published on methyl (2E)-2-[(2R,4S,5S)-5-ethenyl-12-methoxy-7-oxo-7λ⁵,17-diazatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-1(10),11(16),12,14-tetraen-4-yl]-3-methoxyprop-2-enoate (PMID: 35850975) (PMID: 35850974) (PMID: 35850973) (PMID: 35850972) (PMID: 35850971) (PMID: 35850970). |
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Structure | [H][C@]12C[C@@H]([C@@H](C[N+]1([O-])CCC1=C2NC2=CC=CC(OC)=C12)C=C)C(=C/OC)\C(=O)OC InChI=1S/C23H28N2O5/c1-5-14-12-25(27)10-9-15-21-18(7-6-8-20(21)29-3)24-22(15)19(25)11-16(14)17(13-28-2)23(26)30-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16+,19-,25?/m1/s1 |
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Synonyms | Value | Source |
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Methyl (2E)-2-[(2R,4S,5S)-5-ethenyl-12-methoxy-7-oxo-7,17-diazatetracyclo[8.7.0.0,.0,]heptadeca-1(10),11(16),12,14-tetraen-4-yl]-3-methoxyprop-2-enoic acid | Generator |
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Chemical Formula | C20H30O2 |
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Average Mass | 302.4580 Da |
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Monoisotopic Mass | 302.22458 Da |
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IUPAC Name | (2S,3S,12bR)-2-[(1E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethenyl-8-methoxy-1H,2H,3H,4H,5H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-5-ium-5-olate |
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Traditional Name | (2S,3S,12bR)-2-[(1E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]-3-ethenyl-8-methoxy-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-5-ium-5-olate |
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CAS Registry Number | Not Available |
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SMILES | CCCCC1=CC(O)=C(C\C=C(/C)CCC=C(C)C)C(O)=C1 |
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InChI Identifier | InChI=1S/C20H30O2/c1-5-6-10-17-13-19(21)18(20(22)14-17)12-11-16(4)9-7-8-15(2)3/h8,11,13-14,21-22H,5-7,9-10,12H2,1-4H3/b16-11+ |
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InChI Key | LXMICYYYVWWGAM-LFIBNONCSA-N |
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Experimental Spectra |
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| Not Available | 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 | Not Available |
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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 | - Bravi CA, Dell'Oglio P, Mazzone E, Moschovas MC, Falagario U, Piazza P, Scarcella S, Bednarz C, Sarchi L, Tappero S, Knipper S, De Groote R, Sjoberg D, Schiavina R, Suardi N, Terrone C, Autorino R, Carrieri G, Galosi A, Galfano A, Briganti A, Montorsi F, Patel V, Vickers A, Mottrie A: The Surgical Learning Curve for Biochemical Recurrence After Robot-assisted Radical Prostatectomy. Eur Urol Oncol. 2022 Jul 15. pii: S2588-9311(22)00113-4. doi: 10.1016/j.euo.2022.06.010. [PubMed:35850976 ]
- Santiago T, Santos EJF, Ruaro B, Lepri G, Green L, Wildt M, Watanabe S, Lescoat A, Hesselstrand R, Del Galdo F, Pauling JD, Reeve LJ, D'Agostino MA, Matucci-Cerinic M, Iagnocco A, da Silva JAP: Recommendations for the execution and reporting of skin ultrasound in systemic sclerosis: an international collaboration under the WSF skin ultrasound group. RMD Open. 2022 Jul;8(2). pii: rmdopen-2022-002371. doi: 10.1136/rmdopen-2022-002371. [PubMed:35850975 ]
- Baraliakos X, Pournara E, Gossec L, Mease PJ, White R, O'Brien E, Schulz B, Marzo-Ortega H, Coates LC: Predictors of response to secukinumab in patients with psoriatic arthritis and axial manifestations: a post-hoc analysis of the MAXIMISE trial. RMD Open. 2022 Jul;8(2). pii: rmdopen-2022-002303. doi: 10.1136/rmdopen-2022-002303. [PubMed:35850974 ]
- van Zante A, Flanagan MB, Floyd AD, Johnson DN, Manucha V, McGrath CM, VandenBussche CJ, Griffith CC: High-risk human papillomavirus testing in cytology aspiration samples from the head and neck part 2: a survey of the American Society of Cytopathology community. J Am Soc Cytopathol. 2022 Sep-Oct;11(5):306-312. doi: 10.1016/j.jasc.2022.06.005. Epub 2022 Jun 22. [PubMed:35850973 ]
- Wise J: Record number of consultant physician jobs are unfilled, census shows. BMJ. 2022 Jul 18;378:o1782. doi: 10.1136/bmj.o1782. [PubMed:35850972 ]
- Li P, Jin C, Cui C, Cai P, Manohar SA, Jin L, Wei X, Pan S, Dixon RAF, Liu Q: Impact of family history of coronary artery disease on clinical outcomes in Takotsubo cardiomyopathy. J Investig Med. 2022 Jul 18. pii: jim-2021-002186. doi: 10.1136/jim-2021-002186. [PubMed:35850971 ]
- Ramon A, Torres AM, Milara J, Cascon J, Blasco P, Mateo J: eXtreme Gradient Boosting-based method to classify patients with COVID-19. J Investig Med. 2022 Jul 18. pii: jim-2021-002278. doi: 10.1136/jim-2021-002278. [PubMed:35850970 ]
- Rotimi DE, Olaolu TD, Adeyemi OS: Pharmacological action of quercetin against testicular dysfunction: A mini review. J Integr Med. 2022 Sep;20(5):396-401. doi: 10.1016/j.joim.2022.07.001. Epub 2022 Jul 8. [PubMed:35850969 ]
- Zhang Y, Zhong DL, Zheng YL, Li YX, Huang YJ, Jiang YJ, Jin RJ, Li J: Influence of electroacupuncture on ghrelin and the phosphoinositide 3-kinase/protein kinase B/endothelial nitric oxide synthase signaling pathway in spontaneously hypertensive rats. J Integr Med. 2022 Sep;20(5):432-441. doi: 10.1016/j.joim.2022.06.007. Epub 2022 Jun 30. [PubMed:35850968 ]
- Topaz O: Excimer Laser-Induced Adverse Coronary Events: Discerning the Merits and Shortcomings of the MAUDE Database Report. Cardiovasc Revasc Med. 2022 Oct;43:155-157. doi: 10.1016/j.carrev.2022.07.005. Epub 2022 Jul 11. [PubMed:35850967 ]
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