| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:30:28 UTC |
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| Updated at | 2020-11-18 16:35:04 UTC |
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| CannabisDB ID | CDB000314 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | alpha-Humulene epoxide I |
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| Description | alpha-Humulene epoxide I, also known as alpha-humulene oxide I or humulene epoxide I, belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms (one oxygen and two carbon atoms). alpha-Humulene epoxide I is an extremely weak basic (essentially neutral) compound (based on its pKa). alpha-Humulene epoxide I is also biochemically classified as a terpenoid. alpha-Humulene epoxide I is typically found in alcoholic beverages, especially beer. alpha-Humulene epoxide I is a constituent of hops, cannabis and wild ginger (Zingiber zerumbet) and has a characteristic herbal or “hoppy” fragrance. alpha-Humulene epoxide I is an oxidation product of humulene. Humulene is a naturally occurring monocyclic sesquiterpene (C15H24), containing an 11-membered ring and consisting of 3 isoprene units containing three nonconjugated C=C double bonds. Humulene is found in the flowering cone of the hops plant, Humulus lupulus, from which it derives its name as well as in the flowers of related plants such as cannabis. The concentration of humulene varies among different varieties of hops and cannabis but can be up to 40% of the essential oil. Multiple epoxides of humulene (such as alpha-humulene epoxide I and alpha-humulene epoxide II) are produced in the brewing process of beer or in the extraction of cannabis oils. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C15H24O |
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| Average Molecular Weight | 220.36 |
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| Monoisotopic Molecular Weight | 220.1827 |
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| IUPAC Name | (1S,4Z,7E,11S)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene |
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| Traditional Name | (1S,4Z,7E,11S)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene |
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| CAS Registry Number | Not Available |
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| SMILES | C\C1=C\CC[C@]2(C)O[C@H]2CC(C)(C)\C=C\C1 |
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| InChI Identifier | InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8-/t13-,15-/m0/s1 |
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| InChI Key | RKQDKXOBRXTSFS-MQTWWMRFSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Epoxides |
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| Sub Class | Not Available |
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| Direct Parent | Epoxides |
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| Alternative Parents | |
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| Substituents | - Oxacycle
- Ether
- Oxirane
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic 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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