Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 12:55:10 UTC |
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Updated at | 2022-04-28 12:55:10 UTC |
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NP-MRD ID | NP0068031 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Haiderine |
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Description | Methyl (1S,17S)-4,5-dihydroxy-10-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]Heptadeca-2,4,6,12-tetraene-17-carboxylate belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. (+)-Haiderine is found in Cocculus hirsutus (L.) Diels . It was first documented in 2022 (PMID: 35487686). Based on a literature review a significant number of articles have been published on methyl (1S,17S)-4,5-dihydroxy-10-azatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]Heptadeca-2,4,6,12-tetraene-17-carboxylate (PMID: 35487685) (PMID: 35487684) (PMID: 35487683) (PMID: 35487682). |
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Structure | COC(=O)[C@@]12CCCC=C1CN1CCC3=C(C=C(O)C(O)=C3)[C@@H]21 InChI=1S/C18H21NO4/c1-23-17(22)18-6-3-2-4-12(18)10-19-7-5-11-8-14(20)15(21)9-13(11)16(18)19/h4,8-9,16,20-21H,2-3,5-7,10H2,1H3/t16-,18-/m0/s1 |
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Synonyms | Value | Source |
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Methyl (1S,17S)-4,5-dihydroxy-10-azatetracyclo[8.7.0.0,.0,]heptadeca-2,4,6,12-tetraene-17-carboxylic acid | Generator |
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Chemical Formula | C18H21NO4 |
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Average Mass | 315.3690 Da |
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Monoisotopic Mass | 315.14706 Da |
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IUPAC Name | methyl (1S,17S)-4,5-dihydroxy-10-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,12-tetraene-17-carboxylate |
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Traditional Name | methyl (1S,17S)-4,5-dihydroxy-10-azatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,12-tetraene-17-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)[C@@]12CCCC=C1CN1CCC3=C(C=C(O)C(O)=C3)[C@@H]21 |
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InChI Identifier | InChI=1S/C18H21NO4/c1-23-17(22)18-6-3-2-4-12(18)10-19-7-5-11-8-14(20)15(21)9-13(11)16(18)19/h4,8-9,16,20-21H,2-3,5-7,10H2,1H3/t16-,18-/m0/s1 |
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InChI Key | PTTQYTIQSNAMLU-WMZOPIPTSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Tetrahydroisoquinolines |
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Sub Class | Not Available |
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Direct Parent | Tetrahydroisoquinolines |
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Alternative Parents | |
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Substituents | - Tetrahydroisoquinoline
- Isoindole or derivatives
- Isoindole
- Isoindoline
- Pyrrolidine carboxylic acid or derivatives
- Pyrrolidine carboxylic acid
- 1-hydroxy-2-unsubstituted benzenoid
- Aralkylamine
- Benzenoid
- N-alkylpyrrolidine
- Methyl ester
- Pyrrolidine
- Tertiary aliphatic amine
- Tertiary amine
- Carboxylic acid ester
- Amino acid or derivatives
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic 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 | - Ridge KM, Eriksson JE, Pekny M, Goldman RD: Roles of vimentin in health and disease. Genes Dev. 2022 Apr 1;36(7-8):391-407. doi: 10.1101/gad.349358.122. [PubMed:35487686 ]
- Comabella M, Sastre-Garriga J, Carbonell-Mirabent P, Fissolo N, Tur C, Malhotra S, Pareto D, Aymerich FX, Rio J, Rovira A, Tintore M, Montalban X: Serum neurofilament light chain levels predict long-term disability progression in patients with progressive multiple sclerosis. J Neurol Neurosurg Psychiatry. 2022 Apr 29. pii: jnnp-2022-329020. doi: 10.1136/jnnp-2022-329020. [PubMed:35487685 ]
- Wezenbeek E, Denolf S, Willems TM, Pieters D, Bourgois JG, Philippaerts RM, De Winne B, Wieme M, Van Hecke R, Markey L, Schuermans J, Witvrouw E, Verstockt S: Association between SARS-COV-2 infection and muscle strain injury occurrence in elite male football players: a prospective study of 29 weeks including three teams from the Belgian professional football league. Br J Sports Med. 2022 Apr 29. pii: bjsports-2021-104595. doi: 10.1136/bjsports-2021-104595. [PubMed:35487684 ]
- Wagner JL, Smith KJ, Johnson C, Hilaire ML, Medina MS: Best Practices in Syllabus Design. Am J Pharm Educ. 2022 Apr 29:8995. doi: 10.5688/ajpe8995. [PubMed:35487683 ]
- Ahlvik-Harju C: Finding more constructive ways forward in the debate over vaccines with increased disability cultural competence. Med Humanit. 2022 Apr 29. pii: medhum-2021-012342. doi: 10.1136/medhum-2021-012342. [PubMed:35487682 ]
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