(1R,2S,5S,6S,12S,13S)-N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide
| Internal ID | 0f12202b-37fb-4859-a746-bfcd251f6e09 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Conanine-type alkaloids |
| IUPAC Name | (1R,2S,5S,6S,12S,13S)-N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H32N2O2/c1-14-18-6-7-20-17-5-4-15-12-16(26)8-10-22(15,2)19(17)9-11-23(18,20)13-25(14)21(27)24-3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3,(H,24,27)/t14-,17+,18+,19-,20-,22+,23?/m0/s1 |
| InChI Key | KNUQMCFQGBKYPW-ZSOMTMCUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32N2O2 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.246378268 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1R,2S,5S,6S,12S,13S)-N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/b3a802b0-86a3-11ee-a670-1f1ff08de3b7.jpg "2D Structure of (1R,2S,5S,6S,12S,13S)-N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide")
| 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 | 97.85% | 96.09% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 95.70% | 94.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 94.08% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.97% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.89% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.44% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.58% | 96.43% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.27% | 93.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.62% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.52% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.47% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 84.16% | 97.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.45% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.22% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.57% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.92% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.55% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.43% | 91.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.15% | 96.77% |
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 | 163193238 |
| LOTUS | LTS0235723 |
| wikiData | Q105143589 |