(5,9-Dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-2-yl) 2-phenylacetate
| Internal ID | ffab8a7f-1da5-412c-910c-ea9dca0c6e71 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-2-yl) 2-phenylacetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26O5/c1-14-8-7-11-23(3)21(28-23)20(19-15(2)22(25)26-17(19)12-14)27-18(24)13-16-9-5-4-6-10-16/h4-6,8-10,17,19-21H,2,7,11-13H2,1,3H3 |
| InChI Key | YSSYRHZYCGIIJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O5 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 65.10 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (5,9-Dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-2-yl) 2-phenylacetate](https://plantaedb.com/storage/docs/compounds/2023/11/50fc7280-8617-11ee-987b-2be2ac31baa2.jpg "2D Structure of (5,9-Dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-2-yl) 2-phenylacetate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.85% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.81% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.40% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.25% | 91.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.43% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.16% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.64% | 94.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.56% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.66% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.53% | 91.71% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.34% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 84.98% | 97.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.70% | 93.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.36% | 94.73% |
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.
| Gochnatia vernonioides |
| PubChem | 162898982 |
| LOTUS | LTS0130158 |
| wikiData | Q105360651 |