Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:44:50 UTC |
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Updated at | 2021-06-29 23:50:47 UTC |
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NP-MRD ID | NP0025686 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Broussonetine V |
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Provided By | JEOL Database |
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Description | Broussonetin V belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. Broussonetine V is found in Broussonetia kaziniki Sieb., Broussonetia kazinoki SIEB. and Broussonetia papyrifera. It was first documented in 2021 (PMID: 34130325). Based on a literature review a significant number of articles have been published on Broussonetin V (PMID: 34130269) (PMID: 34130268) (PMID: 34130252) (PMID: 34130162). |
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Structure | [H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[C@@]1([H])N([H])[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]1([H])O[H] InChI=1S/C18H33NO5/c20-12-8-7-10-14(22)9-5-3-1-2-4-6-11-15-17(23)18(24)16(13-21)19-15/h2,4,15-21,23-24H,1,3,5-13H2/b4-2+/t15-,16-,17-,18+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C18H33NO5 |
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Average Mass | 343.4640 Da |
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Monoisotopic Mass | 343.23587 Da |
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IUPAC Name | (10E)-13-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridec-10-en-5-one |
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Traditional Name | (10E)-13-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridec-10-en-5-one |
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CAS Registry Number | Not Available |
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SMILES | [H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[C@@]1([H])N([H])[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]1([H])O[H] |
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InChI Identifier | InChI=1S/C18H33NO5/c20-12-8-7-10-14(22)9-5-3-1-2-4-6-11-15-17(23)18(24)16(13-21)19-15/h2,4,15-21,23-24H,1,3,5-13H2/b4-2+/t15-,16-,17-,18+/m1/s1 |
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InChI Key | YBRVYOIXKVKQGF-DLMSYOMMSA-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, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, C5D5N, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, C5D5N, 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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyrrolidines |
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Sub Class | Not Available |
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Direct Parent | Pyrrolidines |
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Alternative Parents | |
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Substituents | - Pyrrolidine
- 1,2-aminoalcohol
- Ketone
- Secondary alcohol
- Secondary aliphatic amine
- Azacycle
- Secondary amine
- Organic nitrogen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Amine
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic 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 | - Kroger K, Schwarzkopf A, Eder S, Protz K, Munter C, Dissemond J: [Diagnosis and therapy of erysipelas: A position paper of the Society Initiative Chronische Wunde (ICW) e. V.] Dtsch Med Wochenschr. 2021 Jun;146(12):822-830. doi: 10.1055/a-1392-8128. Epub 2021 Jun 15. [PubMed:34130325 ]
- Huang S, Wu Y, Fu J, Xin P, Zhang Q, Jin Z, Zhang J, Hu Z, Chen Z: Hierarchical CoFe LDH/MOF nanorods array with strong coupling effect grown on carbon cloth enables efficient oxidation of water and urea. Nanotechnology. 2021 Jul 2;32(38). doi: 10.1088/1361-6528/ac0b65. [PubMed:34130269 ]
- Zhou X, Xu M, Xiao X, Wang Y, Jung TP, Ming D: Detection of fixation points using a small visual landmark for brain-computer interfaces. J Neural Eng. 2021 Jul 5;18(4). doi: 10.1088/1741-2552/ac0b51. [PubMed:34130268 ]
- Hu H, Li D, Wang L, Chen R, Xu X: An improved ultrasonic coda wave method for concrete behavior monitoring under various loading conditions. Ultrasonics. 2021 Jun 8;116:106498. doi: 10.1016/j.ultras.2021.106498. [PubMed:34130252 ]
- Zhang W, Ou J, Wang B, Wang H, He Q, Song J, Zhang H, Tang M, Zhou L, Gao Y, Sun S: Efficient heavy metal removal from water by alginate-based porous nanocomposite hydrogels: The enhanced removal mechanism and influencing factor insight. J Hazard Mater. 2021 Jun 8;418:126358. doi: 10.1016/j.jhazmat.2021.126358. [PubMed:34130162 ]
- Tsukamoto, D., et al. (2001). Tsukamoto, D., et al, Chem. Pharm. Bull. 49, 492 (2001). Chem. Pharm. Bull..
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