| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:39:07 UTC |
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| Updated at | 2020-12-07 19:07:27 UTC |
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| CannabisDB ID | CDB000478 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Cannabistilbene II |
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| Description | Cannabistilbene II belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Cannabistilbene II is one of the dihydrostilbenes and non-cannabinoid phenolic compounds that have been identified in cannabis plants (PMID: 28799497 ). It was obtained as a colorless oil from cannabis ( Ref:DOI ). There are two known Cannabistilbene II isomers including Cannabistilbene IIa and Cannabistilbene IIb. Cannabis stilbenoids were first detected and isolated from leaves in 1978, from stem in 1982, and from resin in 1986 ( Ref:DOI ). Cannabis stilbenoids exhibit antibacterial, anti-inflammatory, antioxidant activities. Cannabistilbene I is one of several non-cannabinoid phenolic compounds that are known to occur in the Cannabis plants (PMID: 28799497 ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C17H20O5 |
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| Average Molecular Weight | 304.34 |
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| Monoisotopic Molecular Weight | 304.1311 |
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| IUPAC Name | 3-{2-[(1S)-5-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl]ethenyl}-2,6-dimethoxyphenol |
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| Traditional Name | 3-{2-[(1S)-5-hydroxy-3-methoxycyclohexa-2,4-dien-1-yl]ethenyl}-2,6-dimethoxyphenol |
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| CAS Registry Number | 91865-42-8 |
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| SMILES | COC1=C[C@@H](CC(O)=C1)C=CC1=C(OC)C(O)=C(OC)C=C1 |
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| InChI Identifier | InChI=1S/C17H20O5/c1-20-14-9-11(8-13(18)10-14)4-5-12-6-7-15(21-2)16(19)17(12)22-3/h4-7,9-11,18-19H,8H2,1-3H3/t11-/m1/s1 |
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| InChI Key | LIAAUPRCZCWDAE-LLVKDONJSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Ontology |
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| Role | Industrial application: Biological role: |
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| 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 | Cannabistilbene II, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Cannabistilbene II, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | Cannabistilbene II, 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 | - Pollastro F, Minassi A, Fresu LG: Cannabis Phenolics and their Bioactivities. Curr Med Chem. 2018;25(10):1160-1185. doi: 10.2174/0929867324666170810164636. [PubMed:28799497 ]
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