4-deoxyasbestinin C
| Internal ID | 6eb53eb0-4cae-4ac0-bdf5-7670045437ae |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [(1S,2S,3R,4R,5R,7S,8R,11S,14Z,17S)-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl] butanoate |
| SMILES (Canonical) | CCCC(=O)OC1C(CC2C(COC3(CCC=C(CC4C1C2C3O4)C)C)C)C |
| SMILES (Isomeric) | CCCC(=O)O[C@@H]1[C@@H](C[C@H]2[C@H](CO[C@]3(CC/C=C(\C[C@H]4[C@H]1[C@H]2[C@@H]3O4)/C)C)C)C |
| InChI | InChI=1S/C24H38O4/c1-6-8-19(25)28-22-15(3)12-17-16(4)13-26-24(5)10-7-9-14(2)11-18-21(22)20(17)23(24)27-18/h9,15-18,20-23H,6-8,10-13H2,1-5H3/b14-9-/t15-,16+,17+,18+,20+,21+,22-,23+,24+/m1/s1 |
| InChI Key | GRBBMLGQMUNLFS-RQZIBGQGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H38O4 |
| Molecular Weight | 390.60 g/mol |
| Exact Mass | 390.27700969 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 4.60 |
| CHEMBL484664 |
| 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 | 98.78% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.57% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.01% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.58% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.87% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.88% | 96.61% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.72% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.62% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.60% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.59% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.29% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.95% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.50% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.27% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.02% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.98% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.91% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.18% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.84% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.80% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.73% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.50% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.22% | 93.56% |
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 | 23427141 |
| LOTUS | LTS0126645 |
| wikiData | Q105015679 |