| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-04 19:55:45 UTC |
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| Updated at | 2022-09-04 19:55:45 UTC |
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| NP-MRD ID | NP0200974 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1s,4ar,7r,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)-octahydronaphthalen-1-ol |
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| Description | Neointermedeol belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. (1s,4ar,7r,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)-octahydronaphthalen-1-ol is found in Amitermes beaumonti, Bothriochloa bladhii, Geigeria burkei and Panax ginseng. (1s,4ar,7r,8ar)-1,4a-dimethyl-7-(prop-1-en-2-yl)-octahydronaphthalen-1-ol was first documented in 2018 (PMID: 29510531). Based on a literature review a small amount of articles have been published on Neointermedeol (PMID: 35889501) (PMID: 35075577) (PMID: 32379384) (PMID: 30700013). |
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| Structure | CC(=C)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2C1 InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H26O |
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| Average Mass | 222.3720 Da |
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| Monoisotopic Mass | 222.19837 Da |
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| IUPAC Name | (1S,4aR,7R,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-decahydronaphthalen-1-ol |
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| Traditional Name | (1S,4aR,7R,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-octahydronaphthalen-1-ol |
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| CAS Registry Number | Not Available |
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| SMILES | CC(=C)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2C1 |
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| InChI Identifier | InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15+/m1/s1 |
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| InChI Key | DPQYOKVMVCQHMY-TUVASFSCSA-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 eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. |
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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 | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
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| Alternative Parents | |
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| Substituents | - Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid
- Tertiary alcohol
- Cyclic alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- 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 | - Fan S, Chang J, Zong Y, Hu G, Jia J: GC-MS Analysis of the Composition of the Essential Oil from Dendranthema indicum Var. Aromaticum Using Three Extraction Methods and Two Columns. Molecules. 2018 Mar 4;23(3). pii: molecules23030576. doi: 10.3390/molecules23030576. [PubMed:29510531 ]
- Fu J, Gao Y, Xing X: Preliminary Study on Phytochemical Constituents and Biological Activities of Essential Oil from Myriactis nepalensis Less. Molecules. 2022 Jul 20;27(14). pii: molecules27144631. doi: 10.3390/molecules27144631. [PubMed:35889501 ]
- Sone M, Komatsu K, Zhu S, Cheng X, Ketphanh S, Kawahara N: Essential oil components in the seed masses of Amomum xanthioides and its related species from Southeast Asia and China. J Nat Med. 2022 Mar;76(2):435-450. doi: 10.1007/s11418-021-01599-7. Epub 2022 Jan 25. [PubMed:35075577 ]
- Wang RL, Gao Y, Xing X: Analysis of Chemical Composition and Assessment of Antioxidant, Cytotoxic and Synergistic Antibacterial Activities of Essential Oils from Different Plant Parts of Piper boehmeriifolium. Chem Biodivers. 2020 Jul;17(7):e2000245. doi: 10.1002/cbdv.202000245. Epub 2020 Jun 23. [PubMed:32379384 ]
- Guan X, Ge D, Li S, Huang K, Liu J, Li F: Chemical Composition and Antimicrobial Activities of Artemisia argyi Levl. et Vant Essential Oils Extracted by Simultaneous Distillation-Extraction, Subcritical Extraction and Hydrodistillation. Molecules. 2019 Jan 29;24(3). pii: molecules24030483. doi: 10.3390/molecules24030483. [PubMed:30700013 ]
- LOTUS database [Link]
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