| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:37:24 UTC |
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| Updated at | 2020-11-18 16:35:10 UTC |
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| CannabisDB ID | CDB000446 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3,4,5,6-Tetrahydro-7-hydroxy-alpha-alpha-2-trimethyl-9-propyl-2,6-methano-2H-1-benzoxocin-5-methanol |
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| Description | 3,4,5,6-Tetrahydro-7-hydroxy-alpha-alpha-2-trimethyl-9-propyl-2,6-methano-2H-1-benzoxocin-5-methanol, also known as OH-iso-HHCV, belongs to organic compounds. It is one of more than 120 cannabinoid compounds that are known in cannabis plant. It belongs to the Miscellaneous class of cannabinoid compounds. (PMID: 6991645 ) |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C19H28O3 |
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| Average Molecular Weight | 304.43 |
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| Monoisotopic Molecular Weight | 304.2038 |
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| IUPAC Name | (1R,9R,12R)-12-(2-hydroxypropan-2-yl)-9-methyl-5-propyl-8-oxatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-3-ol |
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| Traditional Name | (1R,9R,12R)-12-(2-hydroxypropan-2-yl)-9-methyl-5-propyl-8-oxatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-3-ol |
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| CAS Registry Number | Not Available |
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| SMILES | CCCC1=CC2=C([C@@H]3C[C@@](C)(CC[C@H]3C(C)(C)O)O2)C(O)=C1 |
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| InChI Identifier | InChI=1S/C19H28O3/c1-5-6-12-9-15(20)17-13-11-19(4,22-16(17)10-12)8-7-14(13)18(2,3)21/h9-10,13-14,20-21H,5-8,11H2,1-4H3/t13-,14-,19-/m1/s1 |
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| InChI Key | RRQVSLLVCGRJNI-PJIJBLCYSA-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 | 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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| Spectra |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | 3,4,5,6-Tetrahydro-7-hydroxy-alpha-alpha-2-trimethyl-9-propyl-2,6-methano-2H-1-benzoxocin-5-methanol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | 3,4,5,6-Tetrahydro-7-hydroxy-alpha-alpha-2-trimethyl-9-propyl-2,6-methano-2H-1-benzoxocin-5-methanol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | 3,4,5,6-Tetrahydro-7-hydroxy-alpha-alpha-2-trimethyl-9-propyl-2,6-methano-2H-1-benzoxocin-5-methanol, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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| NMR | Not Available |
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| 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 | Not Available |
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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 | Not Available |
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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 | - Turner CE, Elsohly MA, Boeren EG: Constituents of Cannabis sativa L. XVII. A review of the natural constituents. J Nat Prod. 1980 Mar-Apr;43(2):169-234. doi: 10.1021/np50008a001. [PubMed:6991645 ]
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