trimethyl (1S,9R,16S,18R)-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate
| Internal ID | 3436e465-8523-4e20-a5c7-d2edf4ca8f3b |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives > Indolecarboxylic acids |
| IUPAC Name | trimethyl (1S,9R,16S,18R)-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate |
| SMILES (Canonical) | COC(=O)C1CC23CCC14C(CCN2CC=C3)(C5=CC=CC=C5N4C(=O)OC)C(=O)OC |
| SMILES (Isomeric) | COC(=O)[C@@H]1C[C@]23CC[C@@]14[C@@](CCN2CC=C3)(C5=CC=CC=C5N4C(=O)OC)C(=O)OC |
| InChI | InChI=1S/C24H28N2O6/c1-30-19(27)17-15-22-9-6-13-25(22)14-12-23(20(28)31-2)16-7-4-5-8-18(16)26(21(29)32-3)24(17,23)11-10-22/h4-9,17H,10-15H2,1-3H3/t17-,22-,23-,24-/m0/s1 |
| InChI Key | YLBUDFTWGUSIKB-NSXWQBIQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28N2O6 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of trimethyl (1S,9R,16S,18R)-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b8896e40-86e9-11ee-9728-bd20eb0a4563.jpg "2D Structure of trimethyl (1S,9R,16S,18R)-2,12-diazapentacyclo[14.2.2.01,9.03,8.012,16]icosa-3,5,7,14-tetraene-2,9,18-tricarboxylate")
| 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 | 98.80% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.96% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.15% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.80% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.79% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.39% | 94.62% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 86.28% | 92.67% |
| CHEMBL5028 | O14672 | ADAM10 | 85.94% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.94% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.65% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.64% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.83% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.75% | 89.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.00% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.18% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.14% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.38% | 93.03% |
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 lapidilecta |
| PubChem | 162894876 |
| LOTUS | LTS0216662 |
| wikiData | Q105350039 |