16-(1-Hydroxyethyl)-8-methyl-15-oxa-8,18-diazahexacyclo[11.7.0.01,9.02,7.010,18.012,16]icosa-2,4,6-trien-14-one
| Internal ID | c10372e3-904c-453e-bc78-2754f8a29b23 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 16-(1-hydroxyethyl)-8-methyl-15-oxa-8,18-diazahexacyclo[11.7.0.01,9.02,7.010,18.012,16]icosa-2,4,6-trien-14-one |
| SMILES (Canonical) | CC(C12CN3CCC45C(C1CC3C4N(C6=CC=CC=C56)C)C(=O)O2)O |
| SMILES (Isomeric) | CC(C12CN3CCC45C(C1CC3C4N(C6=CC=CC=C56)C)C(=O)O2)O |
| InChI | InChI=1S/C20H24N2O3/c1-11(23)20-10-22-8-7-19-12-5-3-4-6-14(12)21(2)17(19)15(22)9-13(20)16(19)18(24)25-20/h3-6,11,13,15-17,23H,7-10H2,1-2H3 |
| InChI Key | XYFSMCRVYIHPSS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 16-(1-Hydroxyethyl)-8-methyl-15-oxa-8,18-diazahexacyclo[11.7.0.01,9.02,7.010,18.012,16]icosa-2,4,6-trien-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/7867be90-8580-11ee-807e-6560418d9336.jpg "2D Structure of 16-(1-Hydroxyethyl)-8-methyl-15-oxa-8,18-diazahexacyclo[11.7.0.01,9.02,7.010,18.012,16]icosa-2,4,6-trien-14-one")
| 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 | 98.21% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.67% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.82% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.53% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.98% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.76% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.28% | 91.11% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.21% | 95.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.82% | 97.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.64% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.19% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.88% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.83% | 96.47% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.02% | 98.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.28% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.10% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.25% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.55% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.09% | 89.00% |
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.
| Rauvolfia salicifolia |
| PubChem | 162907409 |
| LOTUS | LTS0224457 |
| wikiData | Q105344465 |