Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 18:01:45 UTC |
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Updated at | 2022-04-28 18:01:45 UTC |
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NP-MRD ID | NP0072727 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Aristolide B |
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Description | Aristolide B belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. (+)-Aristolide B is found in Aristolochia cucurbitifolia, Aristolochia heterophylla and Aristolochia heterophylla Hemsl . It was first documented in 2022 (PMID: 35489810). Based on a literature review a significant number of articles have been published on Aristolide B (PMID: 35489783) (PMID: 35489789) (PMID: 35489756) (PMID: 35489754). |
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Structure | O=C1O[C@H]2CC3=C(C=CC=C3)C3=C2C1=CC1=C3OCO1 InChI=1S/C16H10O4/c17-16-10-6-12-15(19-7-18-12)14-9-4-2-1-3-8(9)5-11(20-16)13(10)14/h1-4,6,11H,5,7H2/t11-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C16H10O4 |
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Average Mass | 266.2520 Da |
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Monoisotopic Mass | 266.05791 Da |
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IUPAC Name | (11S)-3,5,10-trioxapentacyclo[9.7.1.0^{2,6}.0^{8,19}.0^{13,18}]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one |
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Traditional Name | (11S)-3,5,10-trioxapentacyclo[9.7.1.0^{2,6}.0^{8,19}.0^{13,18}]nonadeca-1(19),2(6),7,13(18),14,16-hexaen-9-one |
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CAS Registry Number | Not Available |
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SMILES | O=C1O[C@H]2CC3=C(C=CC=C3)C3=C2C1=CC1=C3OCO1 |
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InChI Identifier | InChI=1S/C16H10O4/c17-16-10-6-12-15(19-7-18-12)14-9-4-2-1-3-8(9)5-11(20-16)13(10)14/h1-4,6,11H,5,7H2/t11-/m0/s1 |
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InChI Key | OGIGOVQXGYADQG-NSHDSACASA-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 phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Phenanthrenes and derivatives |
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Sub Class | Not Available |
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Direct Parent | Phenanthrenes and derivatives |
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Alternative Parents | |
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Substituents | - Phenanthrene
- Naphthofuran
- Isobenzofuranone
- Benzofuranone
- Phthalide
- Naphthalene
- Benzodioxole
- Isocoumaran
- Lactone
- Carboxylic acid ester
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- 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 | - Lukies M, Zia A, Kavnoudias H, Bosco JJ, Narita C, Lee R, Joseph T, Clements W: Immune Function After Splenic Artery Embolization for Blunt Trauma: Long-Term Assessment of CD27(+) IgM B-Cell Levels. J Vasc Interv Radiol. 2022 May;33(5):505-509. doi: 10.1016/j.jvir.2022.02.004. [PubMed:35489783 ]
- Tugwell P, Tovey D: Editors' Choice March 2022: Harmonisation needed in a) assessing harms and b) guideline classification of certainty of evidence and strength. J Clin Epidemiol. 2022 Mar;143:A4-A5. doi: 10.1016/j.jclinepi.2022.01.019. [PubMed:35489810 ]
- Bryce Y, Katzen B, Patel P, Moreira CC, Fakorede FA, Arya S, D'Andrea M, Mustapha J, Rowe V, Rosenfield K, Vedantham S, Abi-Jaoudeh N, Rochon PJ: Closing the Gaps in Racial Disparities in Critical Limb Ischemia Outcome and Amputation Rates: Proceedings from a Society of Interventional Radiology Foundation Research Consensus Panel. J Vasc Interv Radiol. 2022 May;33(5):593-602. doi: 10.1016/j.jvir.2022.02.010. [PubMed:35489789 ]
- Yousef P, Ibrahim R, Boulos C, Khatab Z, Pasic M, Krizova A: Investigating miRNA-related Pathways Contributing to Kidney Cancer Pathogenesis. Anticancer Res. 2022 May;42(5):2355-2362. doi: 10.21873/anticanres.15714. [PubMed:35489756 ]
- Han M, Yamaguchi S, Onishi M, Fujii T, Hosoya M, Wen X, Kido H, Kato S: The MDM2 and CDKN2A Copy-number-variation Influence the TP53-signature-score in Wild-type TP53 Luminal Type Breast Cancer. Anticancer Res. 2022 May;42(5):2277-2288. doi: 10.21873/anticanres.15707. [PubMed:35489754 ]
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