6-Ethyl-13-methyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
| Internal ID | 74fff90a-9ac9-4f6b-89f0-3f3ae2b235f5 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | 6-ethyl-13-methyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one |
| SMILES (Canonical) | CCC1C2CCC3C2(CCC4C3CCC5=CC(=O)C=CC45C)CN1 |
| SMILES (Isomeric) | CCC1C2CCC3C2(CCC4C3CCC5=CC(=O)C=CC45C)CN1 |
| InChI | InChI=1S/C22H31NO/c1-3-20-19-7-6-18-16-5-4-14-12-15(24)8-10-21(14,2)17(16)9-11-22(18,19)13-23-20/h8,10,12,16-20,23H,3-7,9,11,13H2,1-2H3 |
| InChI Key | NTCWPIFCJMPRSX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO |
| Molecular Weight | 325.50 g/mol |
| Exact Mass | 325.240564612 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 6-Ethyl-13-methyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-ethyl-13-methyl-7-azapentacyclo108002905901318icosa-1417-dien-16-one.jpg "2D Structure of 6-Ethyl-13-methyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-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 | 97.57% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.20% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.02% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.91% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.36% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.74% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.62% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.30% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.18% | 94.45% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.09% | 98.59% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.83% | 90.17% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.72% | 96.43% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.39% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.15% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.28% | 94.80% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.07% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.70% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.45% | 90.08% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.37% | 82.69% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.24% | 92.68% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.23% | 94.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.03% | 95.89% |
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.
| Holarrhena pubescens |
| PubChem | 163014223 |
| LOTUS | LTS0235124 |
| wikiData | Q105185373 |