Methyl 1,4-dimethyl-5,14-dioxo-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-3,8,12-triene-8-carboxylate
| Internal ID | 1fb17372-319e-4ebe-93a8-0fb190f8f1ba |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Fusicoccane diterpenoids |
| IUPAC Name | methyl 1,4-dimethyl-5,14-dioxo-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-3,8,12-triene-8-carboxylate |
| SMILES (Canonical) | CC1=C2CC3(C(CC=C(C2CC1=O)C(=O)OC)C(=CC3=O)C(C)C)C |
| SMILES (Isomeric) | CC1=C2CC3(C(CC=C(C2CC1=O)C(=O)OC)C(=CC3=O)C(C)C)C |
| InChI | InChI=1S/C21H26O4/c1-11(2)14-9-19(23)21(4)10-16-12(3)18(22)8-15(16)13(20(24)25-5)6-7-17(14)21/h6,9,11,15,17H,7-8,10H2,1-5H3 |
| InChI Key | IKRSVGORANVKEE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of Methyl 1,4-dimethyl-5,14-dioxo-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-3,8,12-triene-8-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/00f97a40-869a-11ee-88ab-9bc853204277.jpg "2D Structure of Methyl 1,4-dimethyl-5,14-dioxo-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-3,8,12-triene-8-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.33% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.31% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.77% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.11% | 85.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.10% | 93.03% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.95% | 91.07% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.87% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.70% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.43% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.92% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.60% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.24% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.17% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.02% | 96.77% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.92% | 96.47% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.73% | 80.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.40% | 95.71% |
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.
| Hypoestes serpens |
| PubChem | 85146443 |
| LOTUS | LTS0169989 |
| wikiData | Q105114892 |