Record Information |
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Version | 1.0 |
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Created at | 2021-06-22 17:41:33 UTC |
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Updated at | 2021-06-22 17:41:34 UTC |
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NP-MRD ID | NP0043933 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Nocarasin B |
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Description | Nocarasin B belongs to the class of organic compounds known as m-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is meta-substituted with a hydroxy group. Nocarasin B is found in Nocardia brasiliensis IFM 0667. It was first documented in 2021 (PMID: 34610622). Based on a literature review a significant number of articles have been published on Nocarasin B (PMID: 34610608) (PMID: 34610582) (PMID: 34610539) (PMID: 34610502). |
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Structure | COC(=O)C1=CC(O)=C(C\C=C(/C)CCC=C(C)C)C=C1 InChI=1S/C18H24O3/c1-13(2)6-5-7-14(3)8-9-15-10-11-16(12-17(15)19)18(20)21-4/h6,8,10-12,19H,5,7,9H2,1-4H3/b14-8+ |
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Synonyms | Value | Source |
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Methyl 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-hydroxybenzoic acid | Generator |
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Chemical Formula | C18H24O3 |
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Average Mass | 288.3870 Da |
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Monoisotopic Mass | 288.17254 Da |
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IUPAC Name | methyl 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-hydroxybenzoate |
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Traditional Name | methyl 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-hydroxybenzoate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)C1=CC(O)=C(C\C=C(/C)CCC=C(C)C)C=C1 |
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InChI Identifier | InChI=1S/C18H24O3/c1-13(2)6-5-7-14(3)8-9-15-10-11-16(12-17(15)19)18(20)21-4/h6,8,10-12,19H,5,7,9H2,1-4H3/b14-8+ |
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InChI Key | UYVXZGCZHSASOX-RIYZIHGNSA-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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1D NMR | 13C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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Nocardia brasiliensis IFM 0667 | Linigton's dataset | - Masashi Tsuda, Akira Nemoto, Hisayuki Komaki, Yasushi Tanaka, Katsukiyo Yazawa, Yuzuru Mikami, an...
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Species Where Detected | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as m-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is meta-substituted with a hydroxy group. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzoic acids and derivatives |
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Direct Parent | m-Hydroxybenzoic acid esters |
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Alternative Parents | |
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Substituents | - M-hydroxybenzoic acid ester
- Aromatic monoterpenoid
- Monocyclic monoterpenoid
- Monoterpenoid
- Benzoyl
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Methyl ester
- Carboxylic acid ester
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic 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 | - Zellweger C, Berger N, Wieler J, Cioni D, Neri E, Boss A, Frauenfelder T, Marcon M: Breast Computed Tomography: Diagnostic Performance of the Maximum Intensity Projection Reformations as a Stand-Alone Method for the Detection and Characterization of Breast Findings. Invest Radiol. 2021 Oct 4. pii: 00004424-900000000-98663. doi: 10.1097/RLI.0000000000000829. [PubMed:34610622 ]
- Yoshida G, Ushirozako H, Imagama S, Kobayashi K, Ando K, Ando M, Kawabata S, Yamada K, Kanchiku T, Fujiwara Y, Taniguchi S, Iwasaki H, Shigematsu H, Takatani T, Tadokoro N, Takahashi M, Wada K, Yamamoto N, Funaba M, Yasuda A, Hashimoto J, Morito S, Tani T, Matsuyama Y: Transcranial Motor-evoked Potential Alert after Supine-to-Prone Position Change during Thoracic Ossification in Posterior Longitudinal Ligament Surgery: A Prospective Multicenter Study of the Monitoring Committee of the Japanese Society for Spine Surgery and Related Research. Spine (Phila Pa 1976). 2021 Oct 4. pii: 00007632-900000000-93541. doi: 10.1097/BRS.0000000000004246. [PubMed:34610608 ]
- Wu Z, Guan Q, Han X, Liu X, Li L, Qiu L, Qian Z, Zhou S, Wang X, Zhang H: A novel prognostic signature based on immune-related genes of diffuse large B-cell lymphoma. Aging (Albany NY). 2021 Oct 5;13(undefined). pii: 203587. doi: 10.18632/aging.203587. [PubMed:34610582 ]
- Gotipamul PP, Vattikondala G, Rajan KD, Khanna S, Rathinam M, Chidambaram S: Impact of piezoelectric effect on the heterogeneous visible photocatalysis of g-C3N4/Ag/ZnO tricomponent. Chemosphere. 2021 Sep 21;287(Pt 4):132298. doi: 10.1016/j.chemosphere.2021.132298. [PubMed:34610539 ]
- Steck AJ: Anti-MAG neuropathy: From biology to clinical management. J Neuroimmunol. 2021 Sep 28;361:577725. doi: 10.1016/j.jneuroim.2021.577725. [PubMed:34610502 ]
- Masashi Tsuda, Akira Nemoto, Hisayuki Komaki, Yasushi Tanaka, Katsukiyo Yazawa, Yuzuru Mikami, and Jun'ichi Kobayashi (1999). Masashi Tsuda, Akira Nemoto, Hisayuki Komaki, Yasushi Tanaka, Katsukiyo Yazawa, Yuzuru Mikami, and Jun'ichi Kobayashi. Nocarasins A−C and Brasiliquinone D, New Metabolites from the Actinomycete Nocardiabrasiliensis. J. Nat. Prod. 1999, 62, 12, 1640–1642 DOI: 10.1021/np990265v. J. Nat. Prod..
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