(1S)-3,13,18-triazapentacyclo[11.9.0.02,10.04,9.016,21]docosa-2(10),4,6,8,14,16(21),17,19-octaene
| Internal ID | dd9b5280-48e1-4f94-a7fa-5510133ef512 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (1S)-3,13,18-triazapentacyclo[11.9.0.02,10.04,9.016,21]docosa-2(10),4,6,8,14,16(21),17,19-octaene |
| SMILES (Canonical) | C1CN2C=CC3=C(CC2C4=C1C5=CC=CC=C5N4)C=CN=C3 |
| SMILES (Isomeric) | C1CN2C=CC3=C(C[C@H]2C4=C1C5=CC=CC=C5N4)C=CN=C3 |
| InChI | InChI=1S/C19H17N3/c1-2-4-17-15(3-1)16-7-10-22-9-6-14-12-20-8-5-13(14)11-18(22)19(16)21-17/h1-6,8-9,12,18,21H,7,10-11H2/t18-/m0/s1 |
| InChI Key | FEVMCYVRGKTEFP-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H17N3 |
| Molecular Weight | 287.40 g/mol |
| Exact Mass | 287.142247555 g/mol |
| Topological Polar Surface Area (TPSA) | 31.90 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (1S)-3,13,18-triazapentacyclo[11.9.0.02,10.04,9.016,21]docosa-2(10),4,6,8,14,16(21),17,19-octaene](https://plantaedb.com/storage/docs/compounds/2023/11/1s-31318-triazapentacyclo1190021004901621docosa-2104681416211719-octaene.jpg "2D Structure of (1S)-3,13,18-triazapentacyclo[11.9.0.02,10.04,9.016,21]docosa-2(10),4,6,8,14,16(21),17,19-octaene")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.49% | 91.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 97.42% | 98.59% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.85% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.89% | 93.40% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 92.06% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.64% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.48% | 95.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.38% | 98.75% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 89.31% | 96.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 89.25% | 96.39% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 87.13% | 96.42% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 85.53% | 97.69% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 85.50% | 95.50% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.50% | 92.98% |
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 84.25% | 96.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.96% | 98.95% |
| CHEMBL4599 | Q07912 | Tyrosine kinase non-receptor protein 2 | 83.92% | 94.29% |
| CHEMBL1952 | P04818 | Thymidylate synthase | 83.72% | 93.53% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.32% | 91.38% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 82.97% | 85.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.64% | 99.23% |
| CHEMBL240 | Q12809 | HERG | 82.01% | 89.76% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.83% | 90.71% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.79% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.61% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.11% | 94.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.64% | 91.71% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.29% | 97.00% |
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.
| Nauclea pobeguinii |
| PubChem | 101223026 |
| LOTUS | LTS0071496 |
| wikiData | Q104994222 |