Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 09:59:32 UTC |
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Updated at | 2022-09-12 09:59:32 UTC |
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NP-MRD ID | NP0327426 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (5r,7s,10as,13s,13as,14s,16ar)-6,16-dihydroxy-14-[(4-hydroxyphenyl)methyl]-5,7,12,13-tetramethyl-5h,6h,7h,8h,10ah,13h,13ah,14h-oxacyclododeca[3,2-d]isoindol-2-one |
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Description | Cytochalasin Z25 belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. It was first documented in 2014 (PMID: 24827690). Based on a literature review a significant number of articles have been published on Cytochalasin Z25 (PMID: 36130844) (PMID: 36130843) (PMID: 36130842) (PMID: 36130841). |
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Structure | C[C@H]1[C@H]2[C@H](CC3=CC=C(O)C=C3)N=C(O)[C@]22OC(=O)\C=C\[C@@H](C)C(O)[C@@H](C)C\C=C\[C@H]2C=C1C InChI=1S/C28H35NO5/c1-16-6-5-7-21-14-18(3)19(4)25-23(15-20-9-11-22(30)12-10-20)29-27(33)28(21,25)34-24(31)13-8-17(2)26(16)32/h5,7-14,16-17,19,21,23,25-26,30,32H,6,15H2,1-4H3,(H,29,33)/b7-5+,13-8+/t16-,17+,19+,21-,23-,25-,26?,28+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H35NO5 |
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Average Mass | 465.5900 Da |
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Monoisotopic Mass | 465.25152 Da |
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IUPAC Name | (5R,7S,13S,13aS,14S,16aR,16bS)-6,16-dihydroxy-14-[(4-hydroxyphenyl)methyl]-5,7,12,13-tetramethyl-2H,5H,6H,7H,8H,13H,13aH,14H,16bH-oxacyclododeca[3,2-e]isoindol-2-one |
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Traditional Name | (5R,7S,13S,13aS,14S,16aR,16bS)-6,16-dihydroxy-14-[(4-hydroxyphenyl)methyl]-5,7,12,13-tetramethyl-5H,6H,7H,8H,13H,13aH,14H,16bH-oxacyclododeca[3,2-e]isoindol-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1[C@H]2[C@H](CC3=CC=C(O)C=C3)N=C(O)[C@]22OC(=O)\C=C\[C@@H](C)C(O)[C@@H](C)C\C=C\[C@H]2C=C1C |
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InChI Identifier | InChI=1S/C28H35NO5/c1-16-6-5-7-21-14-18(3)19(4)25-23(15-20-9-11-22(30)12-10-20)29-27(33)28(21,25)34-24(31)13-8-17(2)26(16)32/h5,7-14,16-17,19,21,23,25-26,30,32H,6,15H2,1-4H3,(H,29,33)/b7-5+,13-8+/t16-,17+,19+,21-,23-,25-,26?,28+/m0/s1 |
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InChI Key | SPWDDTRKTNRBSL-XNGFQOLTSA-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Isoindoles and derivatives |
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Sub Class | Isoindolines |
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Direct Parent | Isoindolones |
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Alternative Parents | |
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Substituents | - Isoindolone
- Isoindole
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Cyclic carboximidic acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Pyrroline
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- 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 | - Liu JT, Hu B, Gao Y, Zhang JP, Jiao BH, Lu XL, Liu XY: Bioactive tyrosine-derived cytochalasins from fungus Eutypella sp. D-1. Chem Biodivers. 2014 May;11(5):800-6. doi: 10.1002/cbdv.201300218. [PubMed:24827690 ]
- Cani I, Righini M, Cenni P, Foschi M: Teaching NeuroImage: Partially Reversible Widespread Leukoencephalopathy Associated With Atypical Hemolytic Uremic Syndrome. Neurology. 2022 Sep 21. pii: WNL.0000000000201378. doi: 10.1212/WNL.0000000000201378. [PubMed:36130844 ]
- Sasaki R, Morimoto S, Ozawa F, Okano H, Yoshida M, Ishiura H, Tsuji S, Kuzuhara S, Kokubo Y: APOE Alleles With Tau and Abeta Pathology In Patients With Amyotrophic Lateral Sclerosis and Parkinsonism-Dementia Complex in the Kii Peninsula. Neurology. 2022 Sep 21. pii: WNL.0000000000201156. doi: 10.1212/WNL.0000000000201156. [PubMed:36130843 ]
- Zhang Z, Wang M, Gill D, Liu X: Genetically Predicted Smoking and Alcohol Consumption and Functional Outcome After Ischemic Stroke. Neurology. 2022 Sep 21. pii: WNL.0000000000201291. doi: 10.1212/WNL.0000000000201291. [PubMed:36130842 ]
- Khamis S, Mitakidou MR, Champion M, Goyal S, Jones RL, Siddiqui A, Sabanathan S, Hedderly T, Lin JP, Jungbluth H, Papandreou A: Clinical Reasoning: A Teenage Girl With Progressive Hyperkinetic Movements, Seizures, and Encephalopathy. Neurology. 2022 Sep 21. pii: WNL.0000000000201385. doi: 10.1212/WNL.0000000000201385. [PubMed:36130841 ]
- LOTUS database [Link]
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