11-Methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
| Internal ID | 586151ae-30ed-427c-9260-333dc415acfd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > C19-gibberellins > C19-gibberellin 6-carboxylic acids |
| IUPAC Name | 11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid |
| SMILES (Canonical) | CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O |
| SMILES (Isomeric) | CC12CCCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O |
| InChI | InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21) |
| InChI Key | MHVYWTXXZIFXDT-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H24O4 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.70 |
| MHVYWTXXZIFXDT-UHFFFAOYSA-N |
| GA9 |
![2D Structure of 11-Methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/07/11-methyl-6-methylidene-16-oxo-15-oxapentacyclo9321580110028heptadecane-9-carboxylic-acid.jpg "2D Structure of 11-Methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.49% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.48% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.87% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.04% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.49% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.66% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.26% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.41% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.30% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.11% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.63% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.60% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Dioscorea japonica |
| Dioscorea oppositifolia |
| Dioscorea polystachya |
| PubChem | 623366 |
| NPASS | NPC115675 |
| LOTUS | LTS0096127 |
| wikiData | Q104171703 |