Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 16:13:13 UTC |
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Updated at | 2022-09-12 16:13:14 UTC |
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NP-MRD ID | NP0330658 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (7z,11z)-17-{[5-(2,4-dimethoxy-6-methylbenzoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-23-hydroxy-3,6,8,12,14,19,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-4,7,11,19,23-pentaene-4-carboxylic acid |
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Description | Teromycin 2 belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. (7z,11z)-17-{[5-(2,4-dimethoxy-6-methylbenzoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-23-hydroxy-3,6,8,12,14,19,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-4,7,11,19,23-pentaene-4-carboxylic acid is found in Streptomyces axinellae. It was first documented in 2022 (PMID: 36130843). Based on a literature review a significant number of articles have been published on Teromycin 2 (PMID: 36130842) (PMID: 36130840) (PMID: 36130802) (PMID: 36130836) (PMID: 36130830) (PMID: 36130826). |
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Structure | COC1=CC(C)=C(C(=O)OC2C(C)OC(OC3CC(C)=CC4C3CC(C)C3\C(C)=C/CC\C(C)=C/C5(C)C=C(C(C)CC55OC(=O)C(C5=O)=C(O)C43C)C(O)=O)C(O)C2O)C(OC)=C1 InChI=1S/C50H64O14/c1-23-13-12-14-25(3)38-27(5)18-31-33(49(38,9)42(53)37-43(54)50(64-46(37)58)21-28(6)32(44(55)56)22-48(50,8)20-23)15-24(2)16-34(31)62-47-40(52)39(51)41(29(7)61-47)63-45(57)36-26(4)17-30(59-10)19-35(36)60-11/h14-15,17,19-20,22,27-29,31,33-34,38-41,47,51-53H,12-13,16,18,21H2,1-11H3,(H,55,56)/b23-20-,25-14-,42-37? |
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Synonyms | Not Available |
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Chemical Formula | C50H64O14 |
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Average Mass | 889.0480 Da |
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Monoisotopic Mass | 888.42961 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 | COC1=CC(C)=C(C(=O)OC2C(C)OC(OC3CC(C)=CC4C3CC(C)C3\C(C)=C/CC\C(C)=C/C5(C)C=C(C(C)CC55OC(=O)C(C5=O)=C(O)C43C)C(O)=O)C(O)C2O)C(OC)=C1 |
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InChI Identifier | InChI=1S/C50H64O14/c1-23-13-12-14-25(3)38-27(5)18-31-33(49(38,9)42(53)37-43(54)50(64-46(37)58)21-28(6)32(44(55)56)22-48(50,8)20-23)15-24(2)16-34(31)62-47-40(52)39(51)41(29(7)61-47)63-45(57)36-26(4)17-30(59-10)19-35(36)60-11/h14-15,17,19-20,22,27-29,31,33-34,38-41,47,51-53H,12-13,16,18,21H2,1-11H3,(H,55,56)/b23-20-,25-14-,42-37? |
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InChI Key | KSVIKYZPJPUMOT-FAXDJISESA-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 sesterterpenoids. These are terpenes composed of five consecutive 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 | Sesterterpenoids |
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Direct Parent | Sesterterpenoids |
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Alternative Parents | |
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Substituents | - Sesterterpenoid
- Terpene glycoside
- Macrolide
- Hexose monosaccharide
- P-methoxybenzoic acid or derivatives
- O-methoxybenzoic acid or derivatives
- O-glycosyl compound
- Glycosyl compound
- M-dimethoxybenzene
- Dimethoxybenzene
- Benzoate ester
- Tricarboxylic acid or derivatives
- Benzoic acid or derivatives
- Phenoxy compound
- Methoxybenzene
- Phenol ether
- Benzoyl
- Anisole
- Toluene
- Alkyl aryl ether
- Benzenoid
- Oxane
- Monosaccharide
- Gamma butyrolactone
- 3-furanone
- Monocyclic benzene moiety
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tetrahydrofuran
- Secondary alcohol
- Lactone
- Ketone
- Carboxylic acid ester
- 1,2-diol
- Oxacycle
- Organoheterocyclic compound
- Ether
- Enol
- Carboxylic acid
- Carboxylic acid derivative
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen 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 | - 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 ]
- Rosenberg A, Ohlund-Wistbacka U, Hall A, Bonnard A, Hagman G, Ryden M, Thunborg C, Wiggenraad F, Sandebring-Matton A, Solomon A, Kivipelto M: beta-Amyloid, Tau, Neurodegeneration Classification and Eligibility for Anti-amyloid Treatment in a Memory Clinic Population. Neurology. 2022 Sep 21. pii: WNL.0000000000201043. doi: 10.1212/WNL.0000000000201043. [PubMed:36130840 ]
- 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 ]
- Yu H, Cai G, Wu J, Li Q: Clinical Phenotypic Variability and Significance of Pneumolabyrinth After Tympanum-Penetrating Injury. Ear Nose Throat J. 2022 Sep 21:1455613221128132. doi: 10.1177/01455613221128132. [PubMed:36130836 ]
- Ruggeberg A, Nickel EA: Unrestricted drinking before surgery: an iterative quality improvement study. Anaesthesia. 2022 Sep 21. doi: 10.1111/anae.15855. [PubMed:36130830 ]
- Moore CA, Ross DW, Pivert KA, Lang VJ, Sozio SM, O'Neill WC 4th: Point-of-Care Ultrasound Training during Nephrology Fellowship: A National Survey of Fellows and Program Directors. Clin J Am Soc Nephrol. 2022 Sep 21. pii: CJN.01850222. doi: 10.2215/CJN.01850222. [PubMed:36130826 ]
- Foo MA, Lim EJ, Cheng CWS, Ng LG: Primary resection of oligometastatic recurrent prostatic carcinoma in the urethra. BMJ Case Rep. 2022 Sep 21;15(9). pii: 15/9/e250200. doi: 10.1136/bcr-2022-250200. [PubMed:36130819 ]
- Tarannum S, Widdifield J, Wu CF, Johnson SR, Rochon P, Eder L: Understanding sex-related differences in healthcare utilisation among patients with inflammatory arthritis: a population-based study. Ann Rheum Dis. 2022 Sep 16. pii: ard-2022-222779. doi: 10.1136/ard-2022-222779. [PubMed:36130810 ]
- Ellouze M, Bouchard D, Pham M, Noly PE, Perrault LP, Cartier R, Carrier M: Coronary endarterectomy in patients with diffuse coronary artery disease: assessment of graft patency with computed tomography angiography. Can J Surg. 2022 Sep 21;65(5):E635-E641. doi: 10.1503/cjs.011121. Print 2022 Sep-Oct. [PubMed:36130806 ]
- LOTUS database [Link]
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