CID 139584368
| Internal ID | fadaacc4-a2c4-4f08-9f3a-923fec00486f |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (1R,3S,4S,6R,10R,13R,15R)-13-ethyl-4,6,10,12-tetramethyl-2,16-dioxatetracyclo[13.2.1.01,3.010,15]octadec-11-ene-17,18-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H32O4/c1-6-16-12-21-18(23)22(19(24)26-21)17(25-22)14(3)10-13(2)8-7-9-20(21,5)11-15(16)4/h11,13-14,16-17H,6-10,12H2,1-5H3/t13-,14+,16-,17+,20-,21+,22-/m1/s1 |
| InChI Key | RRVPBWBDQBVHHW-IZIWQKFHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 55.90 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.12% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.45% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.76% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.92% | 97.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 91.54% | 86.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.97% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.43% | 96.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.43% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.28% | 96.38% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.65% | 97.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.91% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.20% | 96.61% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.18% | 99.23% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.43% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.25% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.96% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.80% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.35% | 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.
| There are no matching plants. |
| PubChem | 139584368 |
| LOTUS | LTS0211068 |
| wikiData | Q77310930 |