| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-17 19:23:34 UTC |
|---|
| Updated at | 2020-12-07 19:11:49 UTC |
|---|
| CannabisDB ID | CDB005242 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | Gibberellin A19 |
|---|
| Description | Gibberellin A19, also known as GA19, 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 A19 is an extremely weak basic (essentially neutral) compound (based on its pKa). Gibberellin A19 is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Bamboo gibberellin | HMDB | | GA19 | HMDB | | GA19 CPD | HMDB | | Gibberellin 19 | HMDB | | Gibberellin a(19) | HMDB | | Gibberellin ga19 | HMDB |
|
|---|
| Chemical Formula | C20H26O6 |
|---|
| Average Molecular Weight | 362.42 |
|---|
| Monoisotopic Molecular Weight | 362.1729 |
|---|
| IUPAC Name | 8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid |
|---|
| Traditional Name | 8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid |
|---|
| CAS Registry Number | 6980-44-5 |
|---|
| SMILES | CC1(CCCC2(C=O)C3CCC4(O)CC3(CC4=C)C(C12)C(O)=O)C(O)=O |
|---|
| InChI Identifier | InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25) |
|---|
| InChI Key | VNCQCPQAMDQEBY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Prenol lipids |
|---|
| Sub Class | Diterpenoids |
|---|
| Direct Parent | C20-gibberellin 6-carboxylic acids |
|---|
| Alternative Parents | Not Available |
|---|
| Substituents | Not Available |
|---|
| Molecular Framework | Aliphatic homopolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
|
| Disposition | Route of exposure: Biological location: Source: |
|---|
| Role | Industrial application: Biological role: |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | 236 - 237 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
| Spectra |
|---|
| EI-MS/GC-MS | | Type | Description | Splash Key | View |
|---|
| Predicted GC-MS | Gibberellin A19, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ls-1209000000-4c2a3285093a0c4c8473 | Spectrum | | Predicted GC-MS | Gibberellin A19, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03di-4010590000-795da2ada8bd05fb94eb | Spectrum |
|
|---|
| MS/MS | | Type | Description | Splash Key | View |
|---|
| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0019000000-d04f66a3669562a1a3ca | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0359000000-a5f21b0d106847946431 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-006t-1394000000-723214d3e0597593b21f | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03xr-0019000000-68cd0d21d27d35c1d7f9 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-01ba-0069000000-4d84555a53b776e6b21e | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00y1-0194000000-f0d1b338bfd488d55664 | 2017-09-01 | View Spectrum |
|
|---|
| NMR | Not Available |
|---|
| Pathways |
|---|
| Pathways | Not Available |
|---|
| Protein Targets |
|---|
| Enzymes | Not Available |
|---|
| Transporters | Not Available |
|---|
| Metal Bindings | Not Available |
|---|
| Receptors | Not Available |
|---|
| Transcriptional Factors | Not Available |
|---|
| Concentrations Data |
|---|
| Not Available |
|---|
| External Links |
|---|
| HMDB ID | HMDB0036896 |
|---|
| DrugBank ID | Not Available |
|---|
| Phenol Explorer Compound ID | Not Available |
|---|
| FoodDB ID | FDB015856 |
|---|
| KNApSAcK ID | C00000019 |
|---|
| Chemspider ID | 3822439 |
|---|
| KEGG Compound ID | C02034 |
|---|
| BioCyc ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PubChem Compound | 4632015 |
|---|
| PDB ID | Not Available |
|---|
| ChEBI ID | 28731 |
|---|
| References |
|---|
| General References | Not Available |
|---|
