1-[(12R,13S)-7-methoxy-12-(2-oxopropyl)-3,11,21-triazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4(9),5,7,10,15,17,19-nonaen-13-yl]propan-2-one
| Internal ID | 25842b85-56ad-43e4-a8b3-85193e369594 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 1-[(12R,13S)-7-methoxy-12-(2-oxopropyl)-3,11,21-triazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4(9),5,7,10,15,17,19-nonaen-13-yl]propan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H23N3O3/c1-13(29)10-17-21(11-14(2)30)28-23-18-12-15(31-3)8-9-20(18)27-25(23)24-22(17)16-6-4-5-7-19(16)26-24/h4-9,12,17,21,26H,10-11H2,1-3H3/t17-,21-/m1/s1 |
| InChI Key | RQZOWBVRFRUUKC-DYESRHJHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H23N3O3 |
| Molecular Weight | 413.50 g/mol |
| Exact Mass | 413.17394160 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 1-[(12R,13S)-7-methoxy-12-(2-oxopropyl)-3,11,21-triazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4(9),5,7,10,15,17,19-nonaen-13-yl]propan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/d5665ec0-86b1-11ee-8b16-29e2261d467b.jpg "2D Structure of 1-[(12R,13S)-7-methoxy-12-(2-oxopropyl)-3,11,21-triazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4(9),5,7,10,15,17,19-nonaen-13-yl]propan-2-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 | 98.94% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.09% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.01% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.83% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.11% | 92.62% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.29% | 89.44% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.53% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.41% | 94.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.35% | 92.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.08% | 99.17% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 87.05% | 85.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.85% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.13% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.66% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.36% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.82% | 94.62% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.35% | 96.67% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.27% | 94.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.99% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.99% | 86.33% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.14% | 96.39% |
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.
| There are no matching plants. |
| PubChem | 10251167 |
| LOTUS | LTS0189550 |
| wikiData | Q105243846 |