Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:17 UTC |
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Update date | 2019-11-26 03:10:08 UTC |
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Primary ID | FDB014473 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Pinocarveol |
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Description | Pinocarveol, also known as 2(10)-pinen-3-ol or fema 3587, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Thus, pinocarveol is considered to be an isoprenoid lipid molecule. Pinocarveol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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CAS Number | 5947-36-4 |
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Structure | |
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Synonyms | Synonym | Source |
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10-Pinen-3-ol | ChEBI | 2(10)-Pinen-3-ol | ChEBI | 3-Hydroxy-6,6-dimethyl-2-methylenebicyclo(3.1.1)heptane | ChEBI | 6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol | ChEBI | 6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptan-3-ol | HMDB | 6,6-Dimethyl-2-methylene-bicyclo[3.1.1]heptan-3-ol | HMDB | 6,6-Dimethyl-2-methylene-norpinan-3-ol | HMDB | 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol, 9ci | HMDB | 6,6-Dimethyl-3-hydroxy-2-methylenebicyclo(3.1.1)heptane | HMDB | FEMA 3587 | HMDB | Isocarveol | HMDB | Pinyl alcohol | HMDB | 6,6-dimethyl-2-methylene-norpinan-3-ol | biospider | 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol, 9CI | db_source | Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene- | biospider | Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene- | biospider | Pinocarveol | db_source |
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Predicted Properties | |
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Chemical Formula | C10H16O |
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IUPAC name | 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol |
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InChI Identifier | InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3 |
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InChI Key | LCYXQUJDODZYIJ-UHFFFAOYSA-N |
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Isomeric SMILES | CC1(C)C2CC1C(=C)C(O)C2 |
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Average Molecular Weight | 152.2334 |
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Monoisotopic Molecular Weight | 152.120115134 |
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Classification |
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Description | belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. |
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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 | Monoterpenoids |
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Direct Parent | Bicyclic monoterpenoids |
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Alternative Parents | |
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Substituents | - Pinane monoterpenoid
- Bicyclic monoterpenoid
- Cyclic alcohol
- Secondary 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 | |
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Ontology |
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Disposition | Route of exposure: Biological location: Source: |
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Process | Naturally occurring process: |
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Role | Industrial application: Biological role: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 78.90%; H 10.59%; O 10.51% | DFC |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0019-3900000000-6606ecc9cd06a6da5bd7 | JSpectraViewer | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive | splash10-05i9-9220000000-95de3481bb916ce84e4f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0f79-0900000000-6ff630040559510e3f1d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f79-0900000000-b911719eff5a3760007f | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00kr-0900000000-7dde3d5da047714de193 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-1384a080edbf08e60385 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0900000000-cce040d437e6c1eee01a | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0f79-0900000000-52674d0954f32b6b3004 | JSpectraViewer |
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External Links |
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ChemSpider ID | 92735 |
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ChEMBL ID | CHEMBL3109299 |
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KEGG Compound ID | C11941 |
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Pubchem Compound ID | 102667 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 26137 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB35743 |
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CRC / DFC (Dictionary of Food Compounds) ID | JRB55-G:JRB55-G |
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EAFUS ID | 3049 |
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Dr. Duke ID | ISOPINOCARVEOL|PINOCARVEOL|CADINA-3,5-DIENE|E-PINOCARVEOL |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | rw1036941 |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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herbal |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| camphor |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| woody |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| pine |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| balsam |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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