Record Information |
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Version | 2.0 |
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Created at | 2022-09-11 22:32:28 UTC |
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Updated at | 2022-09-11 22:32:29 UTC |
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NP-MRD ID | NP0320721 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 8-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one |
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Description | 8-Hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]Hexadeca-5(16),6,8,10(15),11,13-hexaen-2-one belongs to the class of organic compounds known as indolonaphthyridine alkaloids. These are a numerous and relatively straightforward subgroup of the b-carbolines, e.G. Canthin-6-one, in which an additional C3 unit is attached between C-1 and the indole nitrogen to form an additional ring. The group includes a few dimeric examples, such as Haplophytine. 8-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one is found in Eurycoma longifolia. It was first documented in 2002 (PMID: 31593387). Based on a literature review a significant number of articles have been published on 8-hydroxy-13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]Hexadeca-5(16),6,8,10(15),11,13-hexaen-2-one (PMID: 27253005) (PMID: 27583328) (PMID: 36127157) (PMID: 36127156) (PMID: 36127155) (PMID: 36127154). |
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Structure | COC1=CC2=C(C=C1)C1=C3N2C(=O)CCC3=NC=C1O InChI=1S/C15H12N2O3/c1-20-8-2-3-9-11(6-8)17-13(19)5-4-10-15(17)14(9)12(18)7-16-10/h2-3,6-7,18H,4-5H2,1H3 |
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Synonyms | Not Available |
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Chemical Formula | C15H12N2O3 |
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Average Mass | 268.2720 Da |
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Monoisotopic Mass | 268.08479 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC2=C(C=C1)C1=C3N2C(=O)CCC3=NC=C1O |
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InChI Identifier | InChI=1S/C15H12N2O3/c1-20-8-2-3-9-11(6-8)17-13(19)5-4-10-15(17)14(9)12(18)7-16-10/h2-3,6-7,18H,4-5H2,1H3 |
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InChI Key | SIUWQFWHIAGMLE-UHFFFAOYSA-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 indolonaphthyridine alkaloids. These are a numerous and relatively straightforward subgroup of the b-carbolines, e.G. Canthin-6-one, in which an additional C3 unit is attached between C-1 and the indole nitrogen to form an additional ring. The group includes a few dimeric examples, such as Haplophytine. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Indolonaphthyridine alkaloids |
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Sub Class | Not Available |
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Direct Parent | Indolonaphthyridine alkaloids |
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Alternative Parents | |
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Substituents | - Indolo[3,2-1de][1,5]naphthyridine
- Beta-carboline
- Pyridoindole
- Diazanaphthalene
- Naphthyridine
- Indole
- Indole or derivatives
- Anisole
- Alkyl aryl ether
- Hydroxypyridine
- Pyridine
- Benzenoid
- Heteroaromatic compound
- Pyrrole
- Lactam
- Azacycle
- Ether
- Organoheterocyclic compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen 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 | - Authors unspecified: Childhood Vascular Tumors Treatment (PDQ(R)): Patient Version. 2002. [PubMed:27253005 ]
- Authors unspecified: Childhood Esophageal Cancer Treatment (PDQ(R)): Health Professional Version. 2002. [PubMed:31593387 ]
- Authors unspecified: Financial Toxicity and Cancer Treatment (PDQ(R)): Health Professional Version. 2002. [PubMed:27583328 ]
- Gadot R, Najera R, Hirani S, Anand A, Storch E, Goodman WK, Shofty B, Sheth SA: Efficacy of deep brain stimulation for treatment-resistant obsessive-compulsive disorder: systematic review and meta-analysis. J Neurol Neurosurg Psychiatry. 2022 Sep 20. pii: jnnp-2021-328738. doi: 10.1136/jnnp-2021-328738. [PubMed:36127157 ]
- Koggel LM, Lantinga MA, Buchner FL, Drenth JPH, Frankema JS, Heeregrave EJ, Heringa M, Numans ME, Siersema PD: Predictors for inappropriate proton pump inhibitor use: observational study in primary care. Br J Gen Pract. 2022 Jun 24. pii: BJGP.2022.0178. doi: 10.3399/BJGP.2022.0178. [PubMed:36127156 ]
- Lynch C, Harrison S, Emery JD, Clelland C, Dorman L, Collins C, Johansen ML, Lawrenson R, Surgey A, Weller D, Jarbol DE, Balasubramaniam K, Nicholson BD: Variation in suspected cancer referral pathways in primary care: comparative analysis across the International Benchmarking Cancer Partnership. Br J Gen Pract. 2022 Jun 22. pii: BJGP.2022.0110. doi: 10.3399/BJGP.2022.0110. [PubMed:36127155 ]
- Barends H, Botman F, Walstock E, Dessel NC, van der Wouden JC, Olde Hartman T, Dekker J, van der Horst HE: Lost in fragmentation - care coordination when somatic symptoms persist: a qualitative study of patients' experiences. Br J Gen Pract. 2022 Oct 27;72(724):e790-e798. doi: 10.3399/BJGP.2021.0566. Print 2022 Nov. [PubMed:36127154 ]
- Donaghy E, Huang H, Henderson D, Wang HH, Guthrie B, Thompson A, Mercer SW: Primary care transformation in Scotland: qualitative evaluation of the views of national senior stakeholders and cluster quality leads. Br J Gen Pract. 2022 Jul 20. pii: BJGP.2022.0186. doi: 10.3399/BJGP.2022.0186. [PubMed:36127153 ]
- Rondas GA, Macri EM, Oei EH, Bierma-Zeinstra SM, Rijkels-Otters HB, Runhaar J: Association between hip pain and radiographic hip osteoarthritis in primary care: the CHECK cohort. Br J Gen Pract. 2022 Jul 26. pii: BJGP.2021.0547. doi: 10.3399/BJGP.2021.0547. [PubMed:36127152 ]
- Oetker-Black SL, Stickley G, Fox JL: Psychometric Evaluation of the Addiction Self-Efficacy Scale. J Nurs Meas. 2022 Sep 1;30(3):508-517. doi: 10.1891/JNM-D-21-00004. [PubMed:36127151 ]
- LOTUS database [Link]
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