16-Benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione
| Internal ID | c6b98ed4-e9d1-49c6-b5c5-2a39fa9a6e69 |
| Taxonomy | Alkaloids and derivatives > Cytochalasans |
| IUPAC Name | 16-benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione |
| SMILES (Canonical) | CC1CCC(=O)C23C(C=CCC(C1)C)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O |
| SMILES (Isomeric) | CC1CCC(=O)C23C(C=CCC(C1)C)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O |
| InChI | InChI=1S/C28H37NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-12,17-19,22-23,25-26,31H,4,9,13-16H2,1-3H3,(H,29,32) |
| InChI Key | PTFNSBGUGCYQFN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H37NO3 |
| Molecular Weight | 435.60 g/mol |
| Exact Mass | 435.27734404 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 16-Benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e541dff0-8624-11ee-af8b-85b1abe6a799.jpg "2D Structure of 16-Benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.89% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.56% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.65% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.50% | 97.64% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.68% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.33% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.60% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.20% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.07% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.65% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.53% | 90.00% |
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 | 163079499 |
| LOTUS | LTS0005569 |
| wikiData | Q104195407 |