Ketopelenolide D
| Internal ID | 91f669f6-3113-41d4-8eef-209e470ac43d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (1S,4R,6R,9S,11R,14S)-4,9,14-trimethyl-5,12-dioxatricyclo[9.3.0.04,6]tetradecane-8,13-dione |
| SMILES (Canonical) | CC1CC2C(CCC3(C(O3)CC1=O)C)C(C(=O)O2)C |
| SMILES (Isomeric) | C[C@H]1C[C@@H]2[C@@H](CC[C@@]3([C@H](O3)CC1=O)C)[C@@H](C(=O)O2)C |
| InChI | InChI=1S/C15H22O4/c1-8-6-12-10(9(2)14(17)18-12)4-5-15(3)13(19-15)7-11(8)16/h8-10,12-13H,4-7H2,1-3H3/t8-,9-,10-,12+,13+,15+/m0/s1 |
| InChI Key | WGXCGTITYIOZAU-FBURBDLBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.33 g/mol |
| Exact Mass | 266.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 55.90 Ų |
| XlogP | 1.80 |
| (1S,4R,6R,9S,11R,14S)-4,9,14-Trimethyl-5,12-dioxatricyclo[9.3.0.04,6]tetradecane-8,13-dione |
| 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 | 91.88% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.20% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.32% | 97.09% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.30% | 97.05% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.22% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.51% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.27% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.10% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.61% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.96% | 96.77% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.73% | 93.04% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.47% | 86.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.98% | 86.33% |
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.
| Artemisia arborescens |
| PubChem | 25178792 |
| LOTUS | LTS0180077 |
| wikiData | Q105305025 |