| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-17 19:23:45 UTC |
|---|
| Updated at | 2020-12-07 19:11:50 UTC |
|---|
| CannabisDB ID | CDB005244 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | Gibberellin A38 |
|---|
| Description | Gibberellin A38, also known as GA38, belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin A38 is an extremely weak basic (essentially neutral) compound (based on its pKa). Gibberellin A38 is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 3,13-Dihydroxygibberellin a15 | HMDB | | GA38 | HMDB |
|
|---|
| Chemical Formula | C20H26O6 |
|---|
| Average Molecular Weight | 362.42 |
|---|
| Monoisotopic Molecular Weight | 362.1729 |
|---|
| IUPAC Name | 5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylic acid |
|---|
| Traditional Name | 5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylic acid |
|---|
| CAS Registry Number | 36434-14-7 |
|---|
| SMILES | CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(CCC1O)COC2=O |
|---|
| InChI Identifier | InChI=1S/C20H26O6/c1-10-7-19-8-20(10,25)6-3-11(19)18-5-4-12(21)17(2,16(24)26-9-18)14(18)13(19)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23) |
|---|
| InChI Key | GAQSCLQIDHHPEE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-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 | C19-gibberellin 6-carboxylic acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - 20-norgibberellane-6-carboxylic acid
- Diterpene lactone
- Delta valerolactone
- Delta_valerolactone
- Dicarboxylic acid or derivatives
- Oxane
- Cyclic alcohol
- Tertiary alcohol
- Carboxylic acid ester
- Secondary alcohol
- Lactone
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Organoheterocyclic compound
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Alcohol
- Organooxygen compound
- Aliphatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aliphatic heteropolycyclic 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 | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
| EI-MS/GC-MS | | Type | Description | Splash Key | View |
|---|
| Predicted GC-MS | Gibberellin A38, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00m1-1009000000-1365634ac7f166456b71 | Spectrum | | Predicted GC-MS | Gibberellin A38, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0470-6100390000-b36a0b4e76a0c021a651 | Spectrum |
|
|---|
