| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-17 19:23:28 UTC |
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| Updated at | 2020-12-07 19:11:49 UTC |
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| CannabisDB ID | CDB005241 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Gibberellin A53 |
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| Description | Gibberellin A53, also known as GA53, belongs to the class of organic compounds known as c20-gibberellin 6-carboxylic acids. These are c20-gibberellins with a carboxyl group at the 6-position. Gibberellin A53 is an extremely weak basic (essentially neutral) compound (based on its pKa). Gibberellin A53 is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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| Structure | |
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| Synonyms | | Value | Source |
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| GA53 | HMDB | | Gibberellin 53 | HMDB |
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| Chemical Formula | C20H28O5 |
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| Average Molecular Weight | 348.43 |
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| Monoisotopic Molecular Weight | 348.1937 |
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| IUPAC Name | 12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid |
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| Traditional Name | 12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid |
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| CAS Registry Number | 51576-08-0 |
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| SMILES | CC12CCCC(C)(C1C(C(O)=O)C13CC(=C)C(O)(C1)CCC23)C(O)=O |
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| InChI Identifier | InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24) |
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| InChI Key | CZEMYYICWZPENF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as c20-gibberellin 6-carboxylic acids. These are c20-gibberellins with a carboxyl group at the 6-position. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Diterpenoids |
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| Direct Parent | C20-gibberellin 6-carboxylic acids |
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| Alternative Parents | |
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| Substituents | - Gibberellane-6-carboxylic acid
- Dicarboxylic acid or derivatives
- Tertiary alcohol
- Cyclic alcohol
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Route of exposure: Biological location: Source: |
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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 | 261 - 274 °C | 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 | Gibberellin A53, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0fz9-0219000000-a3a32b5b1958eaf43854 | Spectrum | | Predicted GC-MS | Gibberellin A53, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-002b-4021790000-be27b9ca49c8b719a502 | Spectrum |
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