(1S,13S,21S)-14-(2-hydroxyethylidene)-16-methyl-8,16-diazapentacyclo[11.5.2.11,8.02,7.012,21]henicosa-2,4,6,11-tetraene-9,19-dione
| Internal ID | 05018b1a-785d-4424-bc61-9d237da8cd76 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,13S,21S)-14-(2-hydroxyethylidene)-16-methyl-8,16-diazapentacyclo[11.5.2.11,8.02,7.012,21]henicosa-2,4,6,11-tetraene-9,19-dione |
| SMILES (Canonical) | CN1CCC23C4C(=CCC(=O)N4C5=CC=CC=C52)C(CC3=O)C(=CCO)C1 |
| SMILES (Isomeric) | CN1CC[C@@]23[C@@H]4C(=CCC(=O)N4C5=CC=CC=C52)[C@@H](CC3=O)C(=CCO)C1 |
| InChI | InChI=1S/C22H24N2O3/c1-23-10-9-22-17-4-2-3-5-18(17)24-20(27)7-6-15(21(22)24)16(12-19(22)26)14(13-23)8-11-25/h2-6,8,16,21,25H,7,9-13H2,1H3/t16-,21-,22+/m0/s1 |
| InChI Key | QQQSTRCKRSZLNQ-WQTXXOFMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N2O3 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 60.80 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of (1S,13S,21S)-14-(2-hydroxyethylidene)-16-methyl-8,16-diazapentacyclo[11.5.2.11,8.02,7.012,21]henicosa-2,4,6,11-tetraene-9,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e9964b10-85f2-11ee-abc0-5f4ad1103bb8.jpg "2D Structure of (1S,13S,21S)-14-(2-hydroxyethylidene)-16-methyl-8,16-diazapentacyclo[11.5.2.11,8.02,7.012,21]henicosa-2,4,6,11-tetraene-9,19-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.10% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.92% | 95.56% |
| CHEMBL204 | P00734 | Thrombin | 93.57% | 96.01% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.81% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.78% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.90% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.26% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.47% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.72% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.35% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.39% | 93.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.72% | 91.11% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.46% | 95.88% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.12% | 95.51% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.21% | 95.62% |
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.
| Strychnos icaja |
| PubChem | 162866298 |
| LOTUS | LTS0121200 |
| wikiData | Q105225999 |