| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-18 23:27:58 UTC |
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| Updated at | 2020-11-18 16:34:53 UTC |
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| CannabisDB ID | CDB000186 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Car-3-ene |
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| Description | alpha-Carene, also known as 3-carene or Delta(3)-carene, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. alpha-Carene is possibly neutral. alpha-Carene is a sweet, citrus, and lemon tasting compound. Outside of the human body, alpha-Carene is found, on average, in the highest concentration within a few different foods, such as common thymes, fennels, and cumins and in a lower concentration in pot marjorams, winter savories, and star anises. alpha-Carene has also been detected, but not quantified in, several different foods, such as sweet marjorams, yellow bell peppers, red bell peppers, tarragons, and pepper (c. frutescens). This could make alpha-carene a potential biomarker for the consumption of these foods. Delta(3)-carene is also found in cannabis plants (PMID: 6991645 ). 3-Carene is a colorless compound with a sweet, penetrating odor and is predominantly used in the perfume industry for producing essential oils. It is also an intermediate in perfume synthesis and a precursor for insecticides of the pyrethroid type ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C10H16 |
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| Average Molecular Weight | 136.24 |
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| Monoisotopic Molecular Weight | 136.1252 |
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| IUPAC Name | (1R,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
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| Traditional Name | (1R,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
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| CAS Registry Number | 74806-04-5 |
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| SMILES | CC1=CC[C@@H]2[C@@H](C1)C2(C)C |
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| InChI Identifier | InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 |
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| InChI Key | BQOFWKZOCNGFEC-RKDXNWHRSA-N |
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| Chemical Taxonomy |
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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 | - Carane monoterpenoid
- Bicyclic monoterpenoid
- Branched unsaturated hydrocarbon
- Polycyclic hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- 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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|
Not Available | | Physical Properties |
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| State | Solid |
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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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