[14-hydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-2,5,20-trioxo-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraen-6-yl] acetate
| Internal ID | adbd4198-560d-404a-b351-2af8becd055c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | [14-hydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-2,5,20-trioxo-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraen-6-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H38N2O6/c1-18-9-8-11-25-31(40)21(4)20(3)30-27(16-23-17-35-26-12-7-6-10-24(23)26)36-33(41)34(25,30)29(39)14-13-28(38)32(19(2)15-18)42-22(5)37/h6-8,10-15,17-18,25,27,30-32,35,40H,9,16H2,1-5H3,(H,36,41) |
| InChI Key | AAALKTDFGJLPNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H38N2O6 |
| Molecular Weight | 570.70 g/mol |
| Exact Mass | 570.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [14-hydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-2,5,20-trioxo-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraen-6-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c33b2730-85cc-11ee-b9f5-a1a211abd2d0.jpg "2D Structure of [14-hydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-2,5,20-trioxo-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraen-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.66% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.88% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.38% | 94.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.31% | 88.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.54% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.96% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.17% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.49% | 98.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.34% | 98.59% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.59% | 90.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.42% | 93.99% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.93% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.77% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.59% | 96.39% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.56% | 96.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.83% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.90% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.71% | 97.25% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.34% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.64% | 97.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.07% | 90.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.09% | 95.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.71% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.75% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73798897 |
| LOTUS | LTS0192874 |
| wikiData | Q104907788 |