Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 16:54:59 UTC |
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Updated at | 2022-09-12 16:54:59 UTC |
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NP-MRD ID | NP0331006 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | methyl (12r,14r,18r,19s,20r)-20-hydroxy-11,18-dimethyl-17-oxa-1,11-diazapentacyclo[10.8.1.0²,⁷.0⁸,²¹.0¹⁴,¹⁹]henicosa-2,4,6,8(21),15-pentaene-15-carboxylate |
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Description | Correantine A belongs to the class of organic compounds known as akageran and related alkaloids. These are a small group of alkaloids typified by Akagerine, a tetracyclic compound that consist of a b-carboline fused to an azepine ring, which is substituted by a methyl group and a 2-methyl butane group. Akageran and related alkaloids appears to be formed by bond-breaking of a corynanthe precursor followed by formation of a 7-membered ring. methyl (12r,14r,18r,19s,20r)-20-hydroxy-11,18-dimethyl-17-oxa-1,11-diazapentacyclo[10.8.1.0²,⁷.0⁸,²¹.0¹⁴,¹⁹]henicosa-2,4,6,8(21),15-pentaene-15-carboxylate is found in Psychotria correae. It was first documented in 2022 (PMID: 36130261). Based on a literature review a significant number of articles have been published on Correantine A (PMID: 36087713) (PMID: 36083970) (PMID: 36082849) (PMID: 36077915) (PMID: 36091400) (PMID: 36088383). |
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Structure | COC(=O)C1=CO[C@H](C)[C@@H]2[C@H]1C[C@H]1N(C)CCC3=C1N([C@@H]2O)C1=CC=CC=C31 InChI=1S/C22H26N2O4/c1-12-19-15(16(11-28-12)22(26)27-3)10-18-20-14(8-9-23(18)2)13-6-4-5-7-17(13)24(20)21(19)25/h4-7,11-12,15,18-19,21,25H,8-10H2,1-3H3/t12-,15+,18-,19-,21-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H26N2O4 |
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Average Mass | 382.4600 Da |
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Monoisotopic Mass | 382.18926 Da |
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IUPAC Name | methyl (12R,14R,18R,19S,20R)-20-hydroxy-11,18-dimethyl-17-oxa-1,11-diazapentacyclo[10.8.1.0^{2,7}.0^{8,21}.0^{14,19}]henicosa-2,4,6,8(21),15-pentaene-15-carboxylate |
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Traditional Name | methyl (12R,14R,18R,19S,20R)-20-hydroxy-11,18-dimethyl-17-oxa-1,11-diazapentacyclo[10.8.1.0^{2,7}.0^{8,21}.0^{14,19}]henicosa-2,4,6,8(21),15-pentaene-15-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)C1=CO[C@H](C)[C@@H]2[C@H]1C[C@H]1N(C)CCC3=C1N([C@@H]2O)C1=CC=CC=C31 |
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InChI Identifier | InChI=1S/C22H26N2O4/c1-12-19-15(16(11-28-12)22(26)27-3)10-18-20-14(8-9-23(18)2)13-6-4-5-7-17(13)24(20)21(19)25/h4-7,11-12,15,18-19,21,25H,8-10H2,1-3H3/t12-,15+,18-,19-,21-/m1/s1 |
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InChI Key | LJQJDDFXCZGJGT-SRLNHONDSA-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 akageran and related alkaloids. These are a small group of alkaloids typified by Akagerine, a tetracyclic compound that consist of a b-carboline fused to an azepine ring, which is substituted by a methyl group and a 2-methyl butane group. Akageran and related alkaloids appears to be formed by bond-breaking of a corynanthe precursor followed by formation of a 7-membered ring. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Akageran and related alkaloids |
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Sub Class | Not Available |
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Direct Parent | Akageran and related alkaloids |
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Alternative Parents | |
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Substituents | - Akageran skeleton
- Beta-carboline
- Pyridoindole
- Pyrroloazepine
- 3-alkylindole
- Indole
- Indole or derivatives
- Azepine
- Aralkylamine
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Vinylogous ester
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Methyl ester
- Amino acid or derivatives
- Carboxylic acid ester
- Tertiary amine
- Tertiary aliphatic amine
- Oxacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Azacycle
- Organoheterocyclic compound
- Alkanolamine
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Amine
- Carbonyl group
- Organic oxygen compound
- Organic nitrogen compound
- 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 | - O'Byrne LJ, Bodunde EO, Maher GM, Khashan AS, Greene RM, Browne JP, Mccarthy FP: Patient reported outcome measures evaluating postpartum maternal health and wellbeing: a systematic review and evaluation of measurement properties. Am J Obstet Gynecol MFM. 2022 Sep 7:100743. doi: 10.1016/j.ajogmf.2022.100743. [PubMed:36087713 ]
- Panchal N, Desai C, Ghosal R: Fecal glucocorticoid metabolite levels in captive Indian leopards (Panthera pardus fusca) housed under three different enrichment regimes. PLoS One. 2022 Sep 9;17(9):e0261796. doi: 10.1371/journal.pone.0261796. eCollection 2022. [PubMed:36083970 ]
- Polishchuk V, Filatova M, Rusanov E, Shandura M: Trianionic 1,3,2-Dioxaborine-Containing Polymethines: Bright Near-Infrared Fluorophores. Chemistry. 2022 Sep 9. doi: 10.1002/chem.202202168. [PubMed:36082849 ]
- Keum SH, Kim WS, Ghassemi Nejad J, Lee JS, Jo YH, Park KY, Kim YR, Jo JH, Lee HG: Evaluation of the Feed Nutritional Value of Noni (Morinda citrifolia) Meal for Holstein Dairy Cows. Animals (Basel). 2022 Aug 26;12(17). pii: ani12172196. doi: 10.3390/ani12172196. [PubMed:36077915 ]
- Yuksel S, Bonus M, Schwabe T, Pfleger C, Zimmer T, Enke U, Sass I, Gohlke H, Benndorf K, Kusch J: Uncoupling of Voltage- and Ligand-Induced Activation in HCN2 Channels by Glycine Inserts. Front Physiol. 2022 Aug 25;13:895324. doi: 10.3389/fphys.2022.895324. eCollection 2022. [PubMed:36091400 ]
- Peter A, Balogh A, Csanadi Z, Danko K, Griger Z: Subclinical systolic and diastolic myocardial dysfunction in polyphasic polymyositis/dermatomyositis: a 2-year longitudinal study. Arthritis Res Ther. 2022 Sep 10;24(1):219. doi: 10.1186/s13075-022-02906-7. [PubMed:36088383 ]
- Dagdigian PJ: Theoretical investigation of rotationally inelastic collisions of OH(X(2)Pi) with hydrogen atoms. J Chem Phys. 2022 Sep 14;157(10):104305. doi: 10.1063/5.0110724. [PubMed:36109246 ]
- Vranic M, Perochon A, Benbow H, Doohan FM: Comprehensive analysis of pathogen-responsive wheat NAC transcription factors: new candidates for crop improvement. G3 (Bethesda). 2022 Sep 21. pii: 6709347. doi: 10.1093/g3journal/jkac247. [PubMed:36130261 ]
- Regidor PA, Richter WH, Koytchev R, Kirkov V, Colli E: Evaluation of the food effect on a drospirenone only contraceptive containing 4 mg administered with and without high-fat breakfast in a randomised trial. BMC Womens Health. 2022 Sep 19;22(1):381. doi: 10.1186/s12905-022-01960-2. [PubMed:36123682 ]
- Salvador JT: 'Triple-A: Acquaint, analyse and act': The insights of nurse educators towards a better understanding of workplace violence in Saudi Arabia. J Nurs Manag. 2022 Sep;30(6):1811-1822. doi: 10.1111/jonm.13799. Epub 2022 Sep 18. [PubMed:36071562 ]
- LOTUS database [Link]
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