22-(1-Hydroxyethyl)-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol
| Internal ID | ac11fdfa-aa93-41a0-9df2-83ee810bcbd9 |
| Taxonomy | Organoheterocyclic compounds > Oxazepines > 1,4-oxazepines |
| IUPAC Name | 22-(1-hydroxyethyl)-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H35NO5/c1-15(26)17-6-7-23-18-5-4-16-12-22(28)9-8-20(16,2)24(18,30-22)19(27)13-21(17,23)14-25(3)10-11-29-23/h5-6,15-16,19,26-28H,4,7-14H2,1-3H3 |
| InChI Key | ZKCSFQZJDZSMCH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H35NO5 |
| Molecular Weight | 417.50 g/mol |
| Exact Mass | 417.25152322 g/mol |
| Topological Polar Surface Area (TPSA) | 82.40 Ų |
| XlogP | -0.10 |
| CHEBI:176955 |
| ZKCSFQZJDZSMCH-UHFFFAOYSA-N |
| 22-(1-hydroxyethyl)-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol |
![2D Structure of 22-(1-Hydroxyethyl)-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol](https://plantaedb.com/storage/docs/compounds/2023/11/cid-631640.jpg "2D Structure of 22-(1-Hydroxyethyl)-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.86% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.74% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.82% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.50% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.41% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.19% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.33% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.16% | 94.75% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.88% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.62% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.63% | 90.08% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 85.20% | 97.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.71% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.63% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.50% | 90.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.29% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.96% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.48% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.71% | 89.00% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.40% | 95.34% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.91% | 98.46% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.81% | 96.61% |
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 | 631640 |
| LOTUS | LTS0207468 |
| wikiData | Q105378377 |