methyl (1R,2S,10S,13S,14R,18S)-20-oxo-9,15-diazahexacyclo[13.5.1.02,10.02,14.03,8.013,18]henicosa-3,5,7-triene-10-carboxylate
| Internal ID | bfc30e0d-4f45-4b64-a03a-f47258d80be0 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | methyl (1R,2S,10S,13S,14R,18S)-20-oxo-9,15-diazahexacyclo[13.5.1.02,10.02,14.03,8.013,18]henicosa-3,5,7-triene-10-carboxylate |
| SMILES (Canonical) | COC(=O)C12CCC3C4CCN5C3C1(C(C5)C(=O)C4)C6=CC=CC=C6N2 |
| SMILES (Isomeric) | COC(=O)[C@]12CC[C@H]3[C@H]4CCN5[C@H]3[C@]1([C@H](C5)C(=O)C4)C6=CC=CC=C6N2 |
| InChI | InChI=1S/C21H24N2O3/c1-26-19(25)20-8-6-13-12-7-9-23-11-15(17(24)10-12)21(20,18(13)23)14-4-2-3-5-16(14)22-20/h2-5,12-13,15,18,22H,6-11H2,1H3/t12-,13-,15+,18+,20+,21+/m0/s1 |
| InChI Key | OHANRMGAXMNTKA-FSGYHNFOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of methyl (1R,2S,10S,13S,14R,18S)-20-oxo-9,15-diazahexacyclo[13.5.1.02,10.02,14.03,8.013,18]henicosa-3,5,7-triene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ff707a20-85e1-11ee-8b1e-1b34e24ca5be.jpg "2D Structure of methyl (1R,2S,10S,13S,14R,18S)-20-oxo-9,15-diazahexacyclo[13.5.1.02,10.02,14.03,8.013,18]henicosa-3,5,7-triene-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 |
|---|---|---|---|---|
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 96.93% | 93.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.02% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.16% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.75% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.46% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.83% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.22% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.62% | 82.69% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.04% | 95.51% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.40% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.78% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.78% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.33% | 97.14% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.08% | 92.97% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.90% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.96% | 91.19% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.60% | 95.83% |
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 arborea |
| PubChem | 163053592 |
| LOTUS | LTS0197279 |
| wikiData | Q105191976 |