4-Hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione
| Internal ID | 32eb4ad2-46c1-4ceb-9b43-5bda511e1c88 |
| Taxonomy | Alkaloids and derivatives > Cytochalasans > Aspochalasins |
| IUPAC Name | 4-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione |
| SMILES (Canonical) | CC1C2C(NC(=O)C23C(C=C(CCCC(=O)C(CC3=O)O)C)C=C1C)CC(C)C |
| SMILES (Isomeric) | CC1C2C(NC(=O)C23C(C=C(CCCC(=O)C(CC3=O)O)C)C=C1C)CC(C)C |
| InChI | InChI=1S/C24H35NO4/c1-13(2)9-18-22-16(5)15(4)11-17-10-14(3)7-6-8-19(26)20(27)12-21(28)24(17,22)23(29)25-18/h10-11,13,16-18,20,22,27H,6-9,12H2,1-5H3,(H,25,29) |
| InChI Key | UKPHXKTZKORVBO-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H35NO4 |
| Molecular Weight | 401.50 g/mol |
| Exact Mass | 401.25660860 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 4-Hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione](https://plantaedb.com/storage/docs/compounds/2023/11/12bef130-8625-11ee-878c-a503865ca13d.jpg "2D Structure of 4-Hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,12-diene-2,5,18-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.05% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.49% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.65% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.18% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.02% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.76% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.56% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.43% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.40% | 97.79% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.65% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.76% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.48% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.60% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.29% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.09% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.98% | 86.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.82% | 96.90% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.69% | 95.56% |
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 | 162887449 |
| LOTUS | LTS0224171 |
| wikiData | Q104198315 |