(19-Benzyl-6-hydroxy-10,17-dimethyl-16-methylidene-3,21-dioxo-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-dien-15-yl) acetate
| Internal ID | 9504d221-aa73-43f0-a13e-3cae075ff0a5 |
| Taxonomy | Alkaloids and derivatives > Cytochalasans > Cytochalasins |
| IUPAC Name | (19-benzyl-6-hydroxy-10,17-dimethyl-16-methylidene-3,21-dioxo-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-dien-15-yl) acetate |
| SMILES (Canonical) | CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)OC(=O)C)O |
| SMILES (Isomeric) | CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)OC(=O)C)O |
| InChI | InChI=1S/C31H39NO6/c1-19-10-8-14-24(34)16-17-27(35)38-31-25(15-9-11-19)29(37-22(4)33)21(3)20(2)28(31)26(32-30(31)36)18-23-12-6-5-7-13-23/h5-7,9,12-13,15-17,19-20,24-26,28-29,34H,3,8,10-11,14,18H2,1-2,4H3,(H,32,36) |
| InChI Key | GCERPZSZVAOMGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H39NO6 |
| Molecular Weight | 521.60 g/mol |
| Exact Mass | 521.27773796 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (19-Benzyl-6-hydroxy-10,17-dimethyl-16-methylidene-3,21-dioxo-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-dien-15-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2db63a00-8487-11ee-95d0-fd02ff3b40ef.jpg "2D Structure of (19-Benzyl-6-hydroxy-10,17-dimethyl-16-methylidene-3,21-dioxo-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-dien-15-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 | 99.58% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.55% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.39% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.03% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.49% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.68% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.64% | 86.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.01% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.49% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.90% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.38% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.56% | 94.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.15% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.91% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.17% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.50% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.34% | 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 | 76005720 |
| LOTUS | LTS0137397 |
| wikiData | Q105006251 |