Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 01:17:00 UTC |
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Update Date | 2022-03-07 02:56:19 UTC |
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HMDB ID | HMDB0039744 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Ginsenol |
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Description | Ginsenol belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Ginsenol has been detected, but not quantified in, several different foods, such as black tea, green tea, herbal tea, red tea, and teas (Camellia sinensis). This could make ginsenol a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Ginsenol. |
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Structure | CC1(C)CC2(O)C3(C)CCCC2(C)CCC13 InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3 |
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Synonyms | Value | Source |
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octahydro-2,2,4,7a-Tetramethyl-1,4-ethano-3ah-inden-3a-ol, 9ci | HMDB | Ginsenol | MeSH |
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Chemical Formula | C15H26O |
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Average Molecular Weight | 222.3663 |
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Monoisotopic Molecular Weight | 222.198365454 |
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IUPAC Name | 1,5,5,8-tetramethyltricyclo[5.4.0.0⁴,⁸]undecan-7-ol |
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Traditional Name | 1,5,5,8-tetramethyltricyclo[5.4.0.0⁴,⁸]undecan-7-ol |
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CAS Registry Number | 117591-80-7 |
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SMILES | CC1(C)CC2(O)C3(C)CCCC2(C)CCC13 |
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InChI Identifier | InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3 |
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InChI Key | QOXUIQMPPDIDGM-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Alcohols and polyols |
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Direct Parent | Tertiary alcohols |
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Alternative Parents | |
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Substituents | - Tertiary alcohol
- Cyclic alcohol
- Hydrocarbon derivative
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized | Show more...
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Ginsenol GC-MS (Non-derivatized) - 70eV, Positive | splash10-054o-9560000000-b8566de8eeb2317998b6 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ginsenol GC-MS (1 TMS) - 70eV, Positive | splash10-004i-8090000000-f96ec634631ce88230d4 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ginsenol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ginsenol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 10V, Positive-QTOF | splash10-0ab9-0090000000-49ae26f78a1950653e40 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 20V, Positive-QTOF | splash10-0ab9-0190000000-8a587ec26bd9be860c15 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 40V, Positive-QTOF | splash10-06tu-4910000000-d3c7766c218c58335043 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 10V, Negative-QTOF | splash10-00di-0090000000-6f3533c02ab6495b4f4e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 20V, Negative-QTOF | splash10-00di-0090000000-373adf0ad6ac6005aad8 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 40V, Negative-QTOF | splash10-0a4r-1890000000-7af566128a63456352d3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 10V, Positive-QTOF | splash10-05fr-0090000000-ccb0894bbd1aae898700 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 20V, Positive-QTOF | splash10-06di-0590000000-69e672850b748d752664 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 40V, Positive-QTOF | splash10-0a4i-9100000000-977b4be731796e59ccea | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 10V, Negative-QTOF | splash10-00di-0090000000-ab61d8a2af41e6ed2e49 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 20V, Negative-QTOF | splash10-00di-0090000000-ab61d8a2af41e6ed2e49 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ginsenol 40V, Negative-QTOF | splash10-00di-0090000000-ab61d8a2af41e6ed2e49 | 2021-09-24 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB019391 |
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KNApSAcK ID | Not Available |
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Chemspider ID | 530326 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 610072 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1566511 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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