Record Information |
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Version | 1.0 |
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Created at | 2022-09-03 19:50:32 UTC |
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Updated at | 2022-09-03 19:50:33 UTC |
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NP-MRD ID | NP0181340 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3ar,5ar,6s,9r,10ar)-8-(hydroxymethyl)-1-isopropyl-3a,5a-dimethyl-2h,3h,4h,5h,6h,9h,10h,10ah-cyclohepta[e]indene-6,9-diol |
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Description | Cyathatriol belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (3ar,5ar,6s,9r,10ar)-8-(hydroxymethyl)-1-isopropyl-3a,5a-dimethyl-2h,3h,4h,5h,6h,9h,10h,10ah-cyclohepta[e]indene-6,9-diol is found in Cyathus africanus. It was first documented in 2013 (PMID: 23075884). Based on a literature review a significant number of articles have been published on Cyathatriol (PMID: 36057450) (PMID: 36057449) (PMID: 36057448) (PMID: 36057447) (PMID: 36057446) (PMID: 36057441). |
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Structure | CC(C)C1=C2[C@H]3C[C@@H](O)C(CO)=C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1 InChI=1S/C20H32O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,12,15-17,21-23H,5-8,10-11H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H32O3 |
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Average Mass | 320.4730 Da |
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Monoisotopic Mass | 320.23514 Da |
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IUPAC Name | (3aR,5aR,6S,9R,10aR)-8-(hydroxymethyl)-3a,5a-dimethyl-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,6H,9H,10H,10aH-cyclohepta[e]indene-6,9-diol |
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Traditional Name | (3aR,5aR,6S,9R,10aR)-8-(hydroxymethyl)-1-isopropyl-3a,5a-dimethyl-2H,3H,4H,5H,6H,9H,10H,10aH-cyclohepta[e]indene-6,9-diol |
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CAS Registry Number | Not Available |
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SMILES | CC(C)C1=C2[C@H]3C[C@@H](O)C(CO)=C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1 |
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InChI Identifier | InChI=1S/C20H32O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,12,15-17,21-23H,5-8,10-11H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1 |
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InChI Key | YQGDZWWLYAMTAU-HPUSYDDDSA-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 diterpenoids. These are terpene compounds formed by four isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Diterpenoids |
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Direct Parent | Diterpenoids |
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Alternative Parents | |
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Substituents | - Diterpenoid
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic 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 | - Han J, Chen Y, Bao L, Yang X, Liu D, Li S, Zhao F, Liu H: Anti-inflammatory and cytotoxic cyathane diterpenoids from the medicinal fungus Cyathus africanus. Fitoterapia. 2013 Jan;84:22-31. doi: 10.1016/j.fitote.2012.10.001. Epub 2012 Oct 14. [PubMed:23075884 ]
- Micalizzi E, Vaudano AE, Ballerini A, Talami F, Giovannini G, Turchi G, Cioclu MC, Giunta L, Meletti S: Ictal Apnea: a prospective monocentric study in patients with epilepsy. Eur J Neurol. 2022 Sep 3. doi: 10.1111/ene.15547. [PubMed:36057450 ]
- Jiang S, Guo P, Heo HY, Zhang Y, Wu J, Jin Y, Laterra J, Eberhart CG, Lim M, Blakeley JO: Radiomics analysis of amide proton transfer-weighted and structural MR images for treatment response assessment in malignant gliomas. NMR Biomed. 2022 Sep 3:e4824. doi: 10.1002/nbm.4824. [PubMed:36057449 ]
- Agarwal K, Saikia P, Podder I: Metabolic syndrome and Dyslipidemia in xanthelasma palpebrarum and associated risk-factors- a case-control study. J Cosmet Dermatol. 2022 Sep 3. doi: 10.1111/jocd.15353. [PubMed:36057448 ]
- Lebel V, Argiropoulos N, Robins S, Charbonneau L, Feeley N: Family-centred care and breastfeeding self-efficacy determined how ready mothers were for their infants to be discharged from a neonatal intensive care unit. Acta Paediatr. 2022 Sep 3. doi: 10.1111/apa.16538. [PubMed:36057447 ]
- Park JI, Kim SJ, Kim YJ, Lee SJ: Protective role of Caesalpinia sappan extract and its main component brazilin against blue light-induced damage in human fibroblasts. J Cosmet Dermatol. 2022 Sep 3. doi: 10.1111/jocd.15354. [PubMed:36057446 ]
- Ortiz G, Bastidas A, Garay-Fernandez M, Lara A, Benavides M, Rocha E, Buitrago A, Diaz G, Ordonez J, Reyes LF: Correlation and validity of imputed PaO2/FiO2 and SpO2/FiO2 in patients with invasive mechanical ventilation at 2600m above sea level. Med Intensiva (Engl Ed). 2022 Sep;46(9):501-507. doi: 10.1016/j.medine.2021.05.010. [PubMed:36057441 ]
- Laccourreye O: Dog days.... Eur Ann Otorhinolaryngol Head Neck Dis. 2022 Aug;139(4):171-172. doi: 10.1016/j.anorl.2022.08.003. [PubMed:36057445 ]
- Prissel MA, Solomon M: RE: Fellowships in Podiatric Medicine. J Foot Ankle Surg. 2022 Sep-Oct;61(5):1137. doi: 10.1053/j.jfas.2021.03.013. [PubMed:36057444 ]
- Ishikawa T, Inoue S, Kawaguchi M: A pediatric case of severe systemic pneumatosis during airway pressure release ventilation. Med Intensiva (Engl Ed). 2022 Sep;46(9):544-545. doi: 10.1016/j.medine.2020.03.007. [PubMed:36057443 ]
- Isidoro Duarte T, Amaral M, Pires C, Casimiro J, Germano N: Hemodynamic monitoring for liver transplantation: Agreement between invasive and non-invasive devices? Med Intensiva (Engl Ed). 2022 Sep;46(9):527-529. doi: 10.1016/j.medine.2021.06.006. [PubMed:36057442 ]
- Castellanos-Ortega A, Broch MJ, Palacios-Castaneda D, Gomez-Tello V, Valdivia M, Vicent C, Madrid I, Martinez N, Parraga MJ, Sancho E, Fuentes-Dura MDC, Sancerni-Beitia MD, Garcia-Ros R: Competency assessment of residents of Intensive Care Medicine through a simulation-based objective structured clinical evaluation (OSCE). A multicenter observational study. Med Intensiva (Engl Ed). 2022 Sep;46(9):491-500. doi: 10.1016/j.medine.2022.01.001. [PubMed:36057440 ]
- Caldeira da Rocha R, Fernandes R, Picarra B, Neves D, Trinca M: Troubled adolescence. Rev Port Cardiol. 2022 Sep;41(9):803-804. doi: 10.1016/j.repc.2022.07.012. Epub 2022 Aug 10. [PubMed:36057439 ]
- Galrinho A: When a misfortune does not come alone. Rev Port Cardiol. 2022 Sep;41(9):801-802. doi: 10.1016/j.repc.2022.07.011. Epub 2022 Aug 18. [PubMed:36057438 ]
- Toscano M, Alves AR, Matias C, Carvalho M, Marques M: Hemangioma of the mitral valve: Following the murmur. Rev Port Cardiol. 2022 Sep;41(9):795-799. doi: 10.1016/j.repc.2022.07.003. Epub 2022 Aug 9. [PubMed:36057437 ]
- LOTUS database [Link]
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