5,9-Dimethyl-14-methylidene-2-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
| Internal ID | f2e24311-60e1-4124-a8fd-032dbf5836bf |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 5,9-dimethyl-14-methylidene-2-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC12CCCC(C1CC(=O)C34C2CCC(C3)C(=C)C4)(C)C(=O)O |
| SMILES (Isomeric) | CC12CCCC(C1CC(=O)C34C2CCC(C3)C(=C)C4)(C)C(=O)O |
| InChI | InChI=1S/C20H28O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-15H,1,4-11H2,2-3H3,(H,22,23) |
| InChI Key | POGPCKOFXBBAHH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 5,9-Dimethyl-14-methylidene-2-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/59-dimethyl-14-methylidene-2-oxotetracyclo11210110049hexadecane-5-carboxylic-acid.jpg "2D Structure of 5,9-Dimethyl-14-methylidene-2-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.76% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.56% | 96.38% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.21% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.12% | 94.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.38% | 93.04% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.99% | 98.95% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.99% | 95.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.30% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.79% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.09% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.79% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.73% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.52% | 99.23% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 84.41% | 82.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.96% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.31% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.15% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.38% | 90.17% |
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.
| Hypericum beanii |
| Xylopia acutiflora |
| Xylopia aethiopica |
| PubChem | 162945795 |
| LOTUS | LTS0138732 |
| wikiData | Q105030123 |