Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 14:56:20 UTC |
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Updated at | 2022-09-12 14:56:20 UTC |
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NP-MRD ID | NP0329996 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1r,2s,3r,8s,10e,14r,15s)-2,3,8-trihydroxy-1,5,10,14-tetramethyl-7,18-dioxatricyclo[13.2.1.0⁴,⁸]octadeca-4,10-dien-6-one |
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Description | Pachyclavulariolide L belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (1r,2s,3r,8s,10e,14r,15s)-2,3,8-trihydroxy-1,5,10,14-tetramethyl-7,18-dioxatricyclo[13.2.1.0⁴,⁸]octadeca-4,10-dien-6-one is found in Briareum violaceum. It was first documented in 2022 (PMID: 36130824). Based on a literature review a significant number of articles have been published on Pachyclavulariolide L (PMID: 36130802) (PMID: 36130682) (PMID: 36130673) (PMID: 36130775) (PMID: 36130713) (PMID: 36130681). |
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Structure | C[C@@H]1CC\C=C(C)\C[C@]2(O)OC(=O)C(C)=C2[C@@H](O)[C@H](O)[C@@]2(C)CC[C@@H]1O2 InChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(4,25-14)17(22)16(21)15-13(3)18(23)26-20(15,24)10-11/h6,12,14,16-17,21-22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14+,16-,17+,19-,20+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H30O6 |
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Average Mass | 366.4540 Da |
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Monoisotopic Mass | 366.20424 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 | C[C@@H]1CC\C=C(C)\C[C@]2(O)OC(=O)C(C)=C2[C@@H](O)[C@H](O)[C@@]2(C)CC[C@@H]1O2 |
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InChI Identifier | InChI=1S/C20H30O6/c1-11-6-5-7-12(2)14-8-9-19(4,25-14)17(22)16(21)15-13(3)18(23)26-20(15,24)10-11/h6,12,14,16-17,21-22,24H,5,7-10H2,1-4H3/b11-6+/t12-,14+,16-,17+,19-,20+/m1/s1 |
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InChI Key | SHOBJUPZMGAMDM-KPYZOAPTSA-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 macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Macrolides and analogues |
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Sub Class | Not Available |
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Direct Parent | Macrolides and analogues |
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Alternative Parents | |
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Substituents | - Macrolide
- 2-furanone
- Dihydrofuran
- Oxolane
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Carboxylic acid ester
- Secondary alcohol
- 1,2-diol
- Hemiacetal
- Lactone
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Dialkyl ether
- Polyol
- Ether
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Organooxygen compound
- Organic oxide
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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 | - Ahmad A, Ghufran R: Microbial granules on reactors performance during organic butyrate digestion: clean production. Crit Rev Biotechnol. 2022 Sep 21:1-21. doi: 10.1080/07388551.2022.2103641. [PubMed:36130802 ]
- Santos Correa KC, Moreira AC, Abd El-Raheem Ibrahim AG, Ramos de Jesus HC, Micocci KC, Crizostomo Kock FV, Bueno OC, Venancio T, Henrique-Silva F, Souza DHF: Identification and characterization of a recombinant cysteine peptidase (AsCathL) from leaf-cutting ant Atta sexdens Linnaeus, 1758 (Hymenoptera, Formicidae). Protein Expr Purif. 2022 Sep 18;201:106174. doi: 10.1016/j.pep.2022.106174. [PubMed:36130682 ]
- Jiang C, Liu F, Yang H, Yang M, Li Z, Han T, Li D, Hua H: Flavonolignans and biflavonoids from Cephalotaxus oliveri exert neuroprotective effect via Nrf2/ARE pathway. Phytochemistry. 2022 Sep 18;204:113436. doi: 10.1016/j.phytochem.2022.113436. [PubMed:36130673 ]
- Abid MA, Ahmed S, Muneer S, Khan S, de Oliveira MHS, Kausar R, Siddiqui I: Evaluation of CSF kappa free light chains for the diagnosis of multiple sclerosis (MS): a comparison with oligoclonal bands (OCB) detection via isoelectric focusing (IEF) coupled with immunoblotting. J Clin Pathol. 2022 Sep 21. pii: jcp-2022-208354. doi: 10.1136/jcp-2022-208354. [PubMed:36130824 ]
- Wagnew F, Alene KA, Eshetie S, Wingfield T, Kelly M, Gray D: Effects of zinc and vitamin A supplementation on prognostic markers and treatment outcomes of adults with pulmonary tuberculosis: a systematic review and meta-analysis. BMJ Glob Health. 2022 Sep;7(9). pii: bmjgh-2022-008625. doi: 10.1136/bmjgh-2022-008625. [PubMed:36130775 ]
- Li J, Yue L, Zhao Q, Cao X, Tang W, Chen F, Wang C, Wang Z: Prediction models on biomass and yield of rice affected by metal (oxide) nanoparticles using nano-specific descriptors. NanoImpact. 2022 Sep 18;28:100429. doi: 10.1016/j.impact.2022.100429. [PubMed:36130713 ]
- Wang LG, Omar C, Litster J, Slade D, Li J, Salman A, Bellinghausen S, Barrasso D, Mitchell N: Model driven design for integrated twin screw granulator and fluid bed dryer via flowsheet modelling. Int J Pharm. 2022 Sep 18;628:122186. doi: 10.1016/j.ijpharm.2022.122186. [PubMed:36130681 ]
- Thakkar SV, Rodrigues D, Zhai B, Banton D, Somani S, Javidi A, Mahan A, Ember S, DeGrazio D, Ganguly S, Amin K, Nanda H: Residue-Specific Impact of EDTA and Methionine on Protein Oxidation in Biotherapeutics Formulations Using an Integrated Biotherapeutics Drug Product Development Workflow. J Pharm Sci. 2022 Sep 18. pii: S0022-3549(22)00411-7. doi: 10.1016/j.xphs.2022.09.011. [PubMed:36130676 ]
- Chi H, Xia B, Shen J, Zhu X, Lu Z, Lu F, Zhu P: Characterization of a novel and glutaminase-free type II L-asparaginase from Corynebacterium glutamicum and its acrylamide alleviation efficiency in potato chips. Int J Biol Macromol. 2022 Nov 30;221:1384-1393. doi: 10.1016/j.ijbiomac.2022.09.162. Epub 2022 Sep 18. [PubMed:36130640 ]
- Wang P, Kong X, Ma L, Wang S, Zhang W, Song L, Li H, Wang Y, Han Z: Metal(loid)s removal by zeolite-supported iron particles from mine contaminated groundwater: Performance and mechanistic insights. Environ Pollut. 2022 Nov 15;313:120155. doi: 10.1016/j.envpol.2022.120155. Epub 2022 Sep 18. [PubMed:36130632 ]
- LOTUS database [Link]
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