11-Acetyl-2-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione
| Internal ID | 52722994-7fc0-4e0d-bb39-9374c783c7e1 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 11-acetyl-2-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H38N2O5/c1-16-14-22-21(27(16)17(2)33)11-10-20-19-6-4-8-26(35)31-13-5-7-24-29(36)28(30(37)32(24)3)25(34)12-9-18(19)15-23(20)22/h4,8-12,16,18-24,27,34H,5-7,13-15H2,1-3H3,(H,31,35) |
| InChI Key | XRGRHICYOPBQHL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38N2O5 |
| Molecular Weight | 506.60 g/mol |
| Exact Mass | 506.27807232 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 11-Acetyl-2-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione](https://plantaedb.com/storage/docs/compounds/2023/11/2da0cf90-87fe-11ee-b018-69dac9a267b8.jpg "2D Structure of 11-Acetyl-2-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione")
| 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 | 97.76% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.47% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.60% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.02% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.66% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.17% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.84% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.59% | 89.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 88.00% | 95.92% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.79% | 95.62% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 85.42% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.04% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.30% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.11% | 85.14% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.99% | 96.39% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 82.96% | 94.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.39% | 95.56% |
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 | 163061725 |
| LOTUS | LTS0071122 |
| wikiData | Q104201269 |