Dimethyl 21-hydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,17-tetraene-2,18-dicarboxylate
| Internal ID | 0f6dd57d-6ff7-4cfe-8645-07705210aebe |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | dimethyl 21-hydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,17-tetraene-2,18-dicarboxylate |
| SMILES (Canonical) | COC1=CC2=C(C=C1)N(C34C25CCN6C5(C(CCC6)(CC3)C=C4C(=O)OC)O)C(=O)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)N(C34C25CCN6C5(C(CCC6)(CC3)C=C4C(=O)OC)O)C(=O)OC |
| InChI | InChI=1S/C24H28N2O6/c1-30-15-5-6-18-16(13-15)22-10-12-25-11-4-7-21(24(22,25)29)8-9-23(22,26(18)20(28)32-3)17(14-21)19(27)31-2/h5-6,13-14,29H,4,7-12H2,1-3H3 |
| InChI Key | DCDARNHBHIXVJO-UHFFFAOYSA-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) | 88.50 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of Dimethyl 21-hydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,17-tetraene-2,18-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/4d60eb30-8553-11ee-8a57-c31f347a63fc.jpg "2D Structure of Dimethyl 21-hydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,17-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 | 98.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.35% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.26% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.07% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.02% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.84% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.62% | 98.75% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.48% | 93.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.34% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.78% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.92% | 91.07% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.67% | 80.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.16% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.86% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.28% | 82.69% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.80% | 92.67% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.05% | 93.81% |
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 dasyrachis |
| PubChem | 73113056 |
| LOTUS | LTS0245782 |
| wikiData | Q104975210 |