| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:37:20 UTC |
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| Updated at | 2020-11-18 16:35:10 UTC |
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| CannabisDB ID | CDB000038 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Delta-9-cis-tetrahydrocannabinol |
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| Description | Delta-9-cis-tetrahydrocannabinol (Cis-THC) belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. Delta-9-cis-tetrahydrocannabinol is the cis isomer of the more abundant, and well known, THC. Delta-9-cis-tetrahydrocannabinol was found as a major contaminant in samples of confiscated marijuana (PMID: 6991645 ).The actions of THC result from its partial agonist activity at the cannabinoid receptor CB1, located mainly in the central nervous system, and the CB2 receptor, mainly expressed in cells of the immune system (PMID: 17828291 ). Delta-9-cis-tetrahydrocannabinol is also found in cannabis smoke and is volatilized during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C21H30O2 |
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| Average Molecular Weight | 314.47 |
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| Monoisotopic Molecular Weight | 314.2246 |
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| IUPAC Name | (6aS,10aR)-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-ol |
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| Traditional Name | (6aS,10aR)-6,6,9-trimethyl-3-pentyl-6aH,7H,8H,10aH-benzo[c]isochromen-1-ol |
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| CAS Registry Number | 43009-38-7 |
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| SMILES | CCCCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@@H]3C(C)(C)OC2=C1 |
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| InChI Identifier | InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17+/m1/s1 |
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| InChI Key | CYQFCXCEBYINGO-SJORKVTESA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzopyrans |
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| Sub Class | 1-benzopyrans |
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| Direct Parent | 2,2-dimethyl-1-benzopyrans |
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| Alternative Parents | |
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| Substituents | - 2,2-dimethyl-1-benzopyran
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Oxacycle
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic 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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