10-Hydroxy-3,6,6,10,16-pentamethyl-14-azatricyclo[11.2.1.05,7]hexadeca-1(16),11-diene-2,15-dione
| Internal ID | f22b5d44-bb5f-4703-a9b4-7dbe59b39785 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 10-hydroxy-3,6,6,10,16-pentamethyl-14-azatricyclo[11.2.1.05,7]hexadeca-1(16),11-diene-2,15-dione |
| SMILES (Canonical) | CC1CC2C(C2(C)C)CCC(C=CC3C(=C(C1=O)C(=O)N3)C)(C)O |
| SMILES (Isomeric) | CC1CC2C(C2(C)C)CCC(C=CC3C(=C(C1=O)C(=O)N3)C)(C)O |
| InChI | InChI=1S/C20H29NO3/c1-11-10-14-13(19(14,3)4)6-8-20(5,24)9-7-15-12(2)16(17(11)22)18(23)21-15/h7,9,11,13-15,24H,6,8,10H2,1-5H3,(H,21,23) |
| InChI Key | PSJIZUAXNLKZOC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H29NO3 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.21474379 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 10-Hydroxy-3,6,6,10,16-pentamethyl-14-azatricyclo[11.2.1.05,7]hexadeca-1(16),11-diene-2,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/10-hydroxy-3661016-pentamethyl-14-azatricyclo1121057hexadeca-11611-diene-215-dione.jpg "2D Structure of 10-Hydroxy-3,6,6,10,16-pentamethyl-14-azatricyclo[11.2.1.05,7]hexadeca-1(16),11-diene-2,15-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.92% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.02% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.96% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.77% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.27% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.26% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.55% | 94.45% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.45% | 96.43% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.31% | 93.67% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.21% | 90.08% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.71% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.41% | 93.03% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.81% | 86.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.15% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.15% | 93.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.53% | 88.56% |
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.
| Jatropha curcas |
| PubChem | 75069193 |
| LOTUS | LTS0023762 |
| wikiData | Q105214211 |