(10-Hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl) 3-methylpentanoate
| Internal ID | ced90cd4-d608-467f-b4d7-3d9ecc88063f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | (10-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl) 3-methylpentanoate |
| SMILES (Canonical) | CCC(C)CC(=O)OC1CC2C(C3C1(C(CC4C3(O4)C)O)C)OC(=O)C2=C |
| SMILES (Isomeric) | CCC(C)CC(=O)OC1CC2C(C3C1(C(CC4C3(O4)C)O)C)OC(=O)C2=C |
| InChI | InChI=1S/C21H30O6/c1-6-10(2)7-16(23)25-14-8-12-11(3)19(24)26-17(12)18-20(14,4)13(22)9-15-21(18,5)27-15/h10,12-15,17-18,22H,3,6-9H2,1-2,4-5H3 |
| InChI Key | XNGMVHWVFLLJHO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O6 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (10-Hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl) 3-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3be1b270-8669-11ee-abda-6be6419b18d2.jpg "2D Structure of (10-Hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-8-yl) 3-methylpentanoate")
| 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 | 96.95% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.44% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.41% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.47% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.07% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.93% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.30% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.05% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.47% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.31% | 98.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.84% | 96.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.89% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.59% | 92.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.26% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.79% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.98% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.65% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.46% | 96.95% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.44% | 95.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.21% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.01% | 89.00% |
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.
| Pluchea dioscoridis |
| PubChem | 162984390 |
| LOTUS | LTS0094885 |
| wikiData | Q105331636 |