| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:26:28 UTC |
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| Updated at | 2021-01-06 19:07:04 UTC |
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| CannabisDB ID | CDB000041 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Delta1(2)-Tetrahydrocannabinol methylether |
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| Description | Delta1(2)-Tetrahydrocannabinol methylether 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. Delta1(2)-Tetrahydrocannabinol methylether is one of cannabinoid compounds found in cannabis smoke. 2-Oxo-Delta3(4)-tetrahydrocannabinol is formed during the combustion of cannabis. 2-Oxo-Delta3(4)-tetrahydrocannabinol is a methoxy derivative of tetrahydrocannabinol. THC is the principal psychoactive constituent of cannabis. Delta1(2)-Tetrahydrocannabinol methylether is a secondary metabolite of cannabis. It is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | | Value | Source |
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| O-Methyl-δ-9 tetrahydrocannabinol | Generator | | O-Methyl-delta-9-THC | MeSH |
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| Chemical Formula | C22H32O2 |
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| Average Molecular Weight | 328.5 |
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| Monoisotopic Molecular Weight | 328.2402 |
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| IUPAC Name | (6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene |
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| Traditional Name | (6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-pentyl-6aH,7H,8H,10aH-benzo[c]isochromene |
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| CAS Registry Number | 36403-68-6 |
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| SMILES | CCCCCC1=CC(OC)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1 |
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| InChI Identifier | InChI=1S/C22H32O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h12-14,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1 |
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| InChI Key | FJRQDVCLUUZSIG-QZTJIDSGSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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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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| Spectra |
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Not Available| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 2339878 |
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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 | 3082445 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | - Cabral CE, Klein MRST: Phytosterols in the Treatment of Hypercholesterolemia and Prevention of Cardiovascular Diseases. Arq Bras Cardiol. 2017 Nov;109(5):475-482. doi: 10.5935/abc.20170158. [PubMed:29267628 ]
- Tao C, Shkumatov AA, Alexander ST, Ason BL, Zhou M: Stigmasterol accumulation causes cardiac injury and promotes mortality. Commun Biol. 2019 Jan 16;2:20. doi: 10.1038/s42003-018-0245-x. eCollection 2019. [PubMed:30675518 ]
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