Methyl 9,14,15-trihydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5-triene-10-carboxylate
| Internal ID | 3fc8ccac-f783-435c-8ae0-f98d8ceaa9be |
| Taxonomy | Alkaloids and derivatives > Aspidospermatan-type alkaloids |
| IUPAC Name | methyl 9,14,15-trihydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5-triene-10-carboxylate |
| SMILES (Canonical) | COC1=CC=CC2=C1NC3(C24CCN5C4C6(CCC3(C6)C(=O)OC)C(C(C5)O)O)O |
| SMILES (Isomeric) | COC1=CC=CC2=C1NC3(C24CCN5C4C6(CCC3(C6)C(=O)OC)C(C(C5)O)O)O |
| InChI | InChI=1S/C22H28N2O6/c1-29-14-5-3-4-12-15(14)23-22(28)20(18(27)30-2)7-6-19(11-20)16(26)13(25)10-24-9-8-21(12,22)17(19)24/h3-5,13,16-17,23,25-26,28H,6-11H2,1-2H3 |
| InChI Key | GNXKRDYLQPMSRO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28N2O6 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.19473662 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of Methyl 9,14,15-trihydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5-triene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/e72bbdf0-85b0-11ee-a4b4-a3b4c5df7ed1.jpg "2D Structure of Methyl 9,14,15-trihydroxy-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.36% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.77% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.09% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.59% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.49% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.10% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.26% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.33% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 87.04% | 97.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.46% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.03% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.82% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.00% | 91.19% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.40% | 95.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.32% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.27% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.67% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.47% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.91% | 97.14% |
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 fruticosa |
| PubChem | 85434782 |
| LOTUS | LTS0074359 |
| wikiData | Q105013436 |