Record Information |
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Version | 2.0 |
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Created at | 2024-05-11 16:54:40 UTC |
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Updated at | 2024-09-03 04:21:20 UTC |
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NP-MRD ID | NP0333151 |
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Natural Product DOI | https://doi.org/10.57994/2451 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Raufiayunesin A |
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Description | Raufiayunesin A was first documented in 2023 (PMID: 37716419). Based on a literature review a small amount of articles have been published on Speciogynine (PMID: 39189504) (PMID: 38842220) (PMID: 38569366) (PMID: 38489958). |
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Structure | [H][C@]12CC3=C(NC4=CC=C(OC)C=C34)C(=O)C[C@]3([H])[C@@]1([H])CO[C@]([H])(N2C)[C@]31O[C@@H]1C InChI=1S/C21H24N2O4/c1-10-21(27-10)15-8-18(24)19-13(7-17-14(15)9-26-20(21)23(17)2)12-6-11(25-3)4-5-16(12)22-19/h4-6,10,14-15,17,20,22H,7-9H2,1-3H3/t10-,14-,15-,17+,20+,21-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H24N2O4 |
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Average Mass | 368.4330 Da |
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Monoisotopic Mass | 368.17361 Da |
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IUPAC Name | (1'S,2S,3R,14'R,16'S,19'R)-6'-methoxy-3,20'-dimethyl-17'-oxa-10',20'-diazaspiro[oxirane-2,15'-pentacyclo[14.3.1.0^{3,11}.0^{4,9}.0^{14,19}]icosane]-3'(11'),4',6',8'-tetraen-12'-one |
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Traditional Name | (1'S,2S,3R,14'R,16'S,19'R)-6'-methoxy-3,20'-dimethyl-17'-oxa-10',20'-diazaspiro[oxirane-2,15'-pentacyclo[14.3.1.0^{3,11}.0^{4,9}.0^{14,19}]icosane]-3'(11'),4',6',8'-tetraen-12'-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CC3=C(NC4=CC=C(OC)C=C34)C(=O)C[C@]3([H])[C@@]1([H])CO[C@]([H])(N2C)[C@]31O[C@@H]1C |
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InChI Identifier | InChI=1S/C21H24N2O4/c1-10-21(27-10)15-8-18(24)19-13(7-17-14(15)9-26-20(21)23(17)2)12-6-11(25-3)4-5-16(12)22-19/h4-6,10,14-15,17,20,22H,7-9H2,1-3H3/t10-,14-,15-,17+,20+,21-/m1/s1 |
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InChI Key | BDSWMRIFIBSETF-HGEBQDRNSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | qinmalong@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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yunnanensis | | |
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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 | - Garba SA, Shaari K, Abdul Manap MR, Lee SY, Abdulazeez I, Mohd Faudzi SM: Quantitative analysis of selected alkaloids of Mitragyna speciosa using (1)H quantitative nuclear magnetic resonance spectroscopy. Magn Reson Chem. 2024 Aug 27. doi: 10.1002/mrc.5477. [PubMed:39189504 ]
- Karunakaran T, Vicknasingam B, Chawarski MC: Phytochemical analysis of water and ethanol liquid extracts prepared using freshly harvested leaves of Mitragyna speciosa (Korth.). Nat Prod Res. 2024 Jun 6:1-8. doi: 10.1080/14786419.2024.2362428. [PubMed:38842220 ]
- Liang Z, Guo Y, Ellin N, King TI, Berthold EC, Mukhopadhyay S, Sharma A, McCurdy CR, Prentice BM: Formation of multiple ion types during MALDI imaging mass spectrometry analysis of Mitragyna speciosa alkaloids in dosed rat brain tissue. Talanta. 2024 Jul 1;274:125923. doi: 10.1016/j.talanta.2024.125923. Epub 2024 Mar 21. [PubMed:38569366 ]
- Ameline A, Gheddar L, Arbouche N, Blanchot A, Raul JS, Kintz P: Testing for Kratom alkaloids in fingernail clippings - not only mitragynine. J Pharm Biomed Anal. 2024 Jun 15;243:116078. doi: 10.1016/j.jpba.2024.116078. Epub 2024 Mar 1. [PubMed:38489958 ]
- Melchert PW, Zhang Q, Mukhopadhyay S, Kanumuri SRR, McCurdy CR, Markowitz JS: An in vitro evaluation of kratom (Mitragyna speciosa) on the catalytic activity of carboxylesterase 1 (CES1). Chem Biol Interact. 2023 Oct 1;384:110715. doi: 10.1016/j.cbi.2023.110715. Epub 2023 Sep 15. [PubMed:37716419 ]
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