methyl (1R,10R,13R,20S)-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,8,14-pentaene-10-carboxylate
| Internal ID | 822b9bcf-a460-4790-a92d-0c9b93eeabda |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | methyl (1R,10R,13R,20S)-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,8,14-pentaene-10-carboxylate |
| SMILES (Canonical) | COC(=O)C12CCC3(C1)C=CCN4C3C5(C2=NC6=CC=CC=C65)CC4 |
| SMILES (Isomeric) | COC(=O)[C@]12CC[C@@]3(C1)C=CCN4[C@@H]3[C@@]5(C2=NC6=CC=CC=C65)CC4 |
| InChI | InChI=1S/C21H22N2O2/c1-25-18(24)20-9-8-19(13-20)7-4-11-23-12-10-21(17(19)23)14-5-2-3-6-15(14)22-16(20)21/h2-7,17H,8-13H2,1H3/t17-,19+,20+,21-/m0/s1 |
| InChI Key | NHBNAZNATVTUSA-KCLUMXDGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H22N2O2 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 41.90 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of methyl (1R,10R,13R,20S)-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,8,14-pentaene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ab6c5f00-8834-11ee-86d8-4585b50cc5d9.jpg "2D Structure of methyl (1R,10R,13R,20S)-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,8,14-pentaene-10-carboxylate")
| 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 | 98.07% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.02% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.99% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.43% | 90.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.73% | 83.82% |
| CHEMBL5028 | O14672 | ADAM10 | 85.88% | 97.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.69% | 97.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.96% | 82.69% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.93% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.82% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.39% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.85% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.78% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.55% | 98.75% |
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.
| Kopsia fruticosa |
| PubChem | 12116554 |
| LOTUS | LTS0183020 |
| wikiData | Q105179293 |