Record Information |
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Version | 1.0 |
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Created at | 2020-03-19 00:36:05 UTC |
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Updated at | 2020-11-18 16:35:10 UTC |
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CannabisDB ID | CDB000025 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | Cannabicyclolic acid |
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Description | Cannabicyclolic acid, also known as cannabicyclolate or CBLA, belongs to the class of organic compounds known as salicylic acid and derivatives. Salicylic acid and derivatives are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof. Cannabicyclolic acid is a neutral compound . Cannabicyclolic acid or CBLA, has also been placed in the class of cannabis compounds known as Cannabicyclols. Cannabicyclolic acid (CBLA) is a non-psychoactive cannabinoid found in cannabis plants (PMID: 6991645 ). CBLA is a relatively rare or low-abundance compound in cannabis. It is thought to be a photo-oxidation or natural degradation product of cannabichromenic acid (CBCA). CBLA is not considered to be an original cannabinoid (PMID: 6991645 ). |
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Structure | |
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Synonyms | Value | Source |
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(1AR)-1a,2,3,3a,8bbeta,8cbeta-hexahydro-1,1,3abeta-trimethyl-6-pentyl-8-hydroxy-1H-4-oxa-benzo[F]cyclobuta[CD]indene-7-carboxylate | Generator |
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Chemical Formula | C22H30O4 |
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Average Molecular Weight | 358.48 |
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Monoisotopic Molecular Weight | 358.2144 |
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IUPAC Name | (1S,9S,12R,14S)-3-hydroxy-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.0^{2,7}.0^{12,14}]tetradeca-2(7),3,5-triene-4-carboxylic acid |
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Traditional Name | (1S,9S,12R,14S)-3-hydroxy-9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.0^{2,7}.0^{12,14}]tetradeca-2(7),3,5-triene-4-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | CCCCCC1=CC2=C([C@H]3[C@@H]4[C@@H](CC[C@]4(C)O2)C3(C)C)C(O)=C1C(O)=O |
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InChI Identifier | InChI=1S/C22H30O4/c1-5-6-7-8-12-11-14-16(19(23)15(12)20(24)25)18-17-13(21(18,2)3)9-10-22(17,4)26-14/h11,13,17-18,23H,5-10H2,1-4H3,(H,24,25)/t13-,17+,18+,22+/m1/s1 |
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InChI Key | JVOHLEIRDMVLHS-NDONDOTQSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as salicylic acid and derivatives. Salicylic acid and derivatives are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzoic acids and derivatives |
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Direct Parent | Salicylic acid and derivatives |
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Alternative Parents | |
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Substituents | - Chromane
- Benzopyran
- Salicylic acid or derivatives
- 1-benzopyran
- 1-hydroxy-4-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Vinylogous acid
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Oxacycle
- Organoheterocyclic compound
- Organic oxide
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen 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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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | Cannabicyclolic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Cannabicyclolic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Cannabicyclolic acid, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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