Dimethyl 18-hydroxy-4,5-dimethoxy-21-oxo-2,12-diazapentacyclo[14.2.2.19,12.01,9.03,8]henicosa-3(8),4,6,16(20)-tetraene-2,18-dicarboxylate
| Internal ID | f9abe1b3-9688-48df-9b99-e8024b9328c7 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives > Indolecarboxylic acids |
| IUPAC Name | dimethyl 18-hydroxy-4,5-dimethoxy-21-oxo-2,12-diazapentacyclo[14.2.2.19,12.01,9.03,8]henicosa-3(8),4,6,16(20)-tetraene-2,18-dicarboxylate |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C34CCN(C3=O)CCCC5=CCC4(N2C(=O)OC)C(C5)(C(=O)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C34CCN(C3=O)CCCC5=CCC4(N2C(=O)OC)C(C5)(C(=O)OC)O)OC |
| InChI | InChI=1S/C25H30N2O8/c1-32-17-8-7-16-18(19(17)33-2)27(22(30)35-4)25-10-9-15(14-24(25,31)21(29)34-3)6-5-12-26-13-11-23(16,25)20(26)28/h7-9,31H,5-6,10-14H2,1-4H3 |
| InChI Key | SQMISQBTNOKVMW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30N2O8 |
| Molecular Weight | 486.50 g/mol |
| Exact Mass | 486.20021592 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of Dimethyl 18-hydroxy-4,5-dimethoxy-21-oxo-2,12-diazapentacyclo[14.2.2.19,12.01,9.03,8]henicosa-3(8),4,6,16(20)-tetraene-2,18-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/d18d9d90-85e8-11ee-ade2-51bf26b1aca3.jpg "2D Structure of Dimethyl 18-hydroxy-4,5-dimethoxy-21-oxo-2,12-diazapentacyclo[14.2.2.19,12.01,9.03,8]henicosa-3(8),4,6,16(20)-tetraene-2,18-dicarboxylate")
| 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 | 97.53% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.23% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.57% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.56% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.09% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.44% | 93.40% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.64% | 94.42% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.41% | 90.20% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.61% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.04% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 85.79% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.45% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.29% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.45% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.54% | 85.14% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.36% | 96.76% |
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 pauciflora |
| PubChem | 85182567 |
| LOTUS | LTS0085158 |
| wikiData | Q105258137 |