Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 13:44:56 UTC |
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Updated at | 2022-09-12 13:44:56 UTC |
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NP-MRD ID | NP0329403 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | [(1s,5e,9r,10s)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]methyl acetate |
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Description | [(1S,5E,9R,10S)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]Undec-5-en-10-yl]methyl acetate belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. [(1s,5e,9r,10s)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]methyl acetate is found in Ozothamnus diosmifolius. It was first documented in 2022 (PMID: 36130844). Based on a literature review a significant number of articles have been published on [(1S,5E,9R,10S)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]Undec-5-en-10-yl]methyl acetate (PMID: 36130843) (PMID: 36130842) (PMID: 36130841) (PMID: 36130840). |
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Structure | CC(=O)OC[C@@]1(C)C[C@H]2[C@H]1CC\C(C)=C\CCC2=C InChI=1S/C17H26O2/c1-12-6-5-7-13(2)15-10-17(4,11-19-14(3)18)16(15)9-8-12/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6+/t15-,16-,17-/m1/s1 |
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Synonyms | Value | Source |
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[(1S,5E,9R,10S)-6,10-Dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]methyl acetic acid | Generator |
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Chemical Formula | C17H26O2 |
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Average Mass | 262.3930 Da |
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Monoisotopic Mass | 262.19328 Da |
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IUPAC Name | [(1S,5E,9R,10S)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]methyl acetate |
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Traditional Name | [(1S,5E,9R,10S)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]methyl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)OC[C@@]1(C)C[C@H]2[C@H]1CC\C(C)=C\CCC2=C |
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InChI Identifier | InChI=1S/C17H26O2/c1-12-6-5-7-13(2)15-10-17(4,11-19-14(3)18)16(15)9-8-12/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6+/t15-,16-,17-/m1/s1 |
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InChI Key | VKTLOEXWZVKMMV-QYMFUMRNSA-N |
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Experimental Spectra |
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| Not Available | 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 sesquiterpenoids. These are terpenes with three 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 | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Caryophyllane sesquiterpenoid
- Sesquiterpenoid
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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 | - 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 ]
- 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 ]
- LOTUS database [Link]
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