(12-Acetyloxy-16-benzyl-5-hydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate
| Internal ID | 9f8c873c-f867-4812-92ef-895003d435f5 |
| Taxonomy | Alkaloids and derivatives > Cytochalasans |
| IUPAC Name | (12-acetyloxy-16-benzyl-5-hydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H39NO7/c1-18-11-10-14-24-28(40-22(5)35)20(3)19(2)27-25(17-23-12-8-7-9-13-23)33-30(37)32(24,27)26(39-21(4)34)15-16-31(6,38)29(18)36/h7-10,12-16,18-19,24-28,38H,3,11,17H2,1-2,4-6H3,(H,33,37) |
| InChI Key | APXVRVLJIANRPI-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H39NO7 |
| Molecular Weight | 549.70 g/mol |
| Exact Mass | 549.27265258 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (12-Acetyloxy-16-benzyl-5-hydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/81023ec0-85ea-11ee-98cb-cdf74ff9f161.jpg "2D Structure of (12-Acetyloxy-16-benzyl-5-hydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate")
| 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 | 98.98% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.97% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.77% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.91% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.77% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.53% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.13% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.07% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.40% | 97.64% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.33% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.52% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.24% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.90% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.76% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.52% | 93.03% |
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 | 72747702 |
| LOTUS | LTS0194666 |
| wikiData | Q104916611 |