Dimethyl 18,23-dihydroxy-11,13,20-trioxa-3,16-diazaoctacyclo[15.6.2.01,19.02,6.03,21.06,17.07,15.010,14]pentacosa-7(15),8,10(14)-triene-16,18-dicarboxylate
| Internal ID | ce0fa417-748e-45b2-9fa3-feb45f1098c2 |
| Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
| IUPAC Name | dimethyl 18,23-dihydroxy-11,13,20-trioxa-3,16-diazaoctacyclo[15.6.2.01,19.02,6.03,21.06,17.07,15.010,14]pentacosa-7(15),8,10(14)-triene-16,18-dicarboxylate |
| SMILES (Canonical) | COC(=O)C1(C2C34CCC15C6(C3N(CC6)C(O2)CC4O)C7=C(N5C(=O)OC)C8=C(C=C7)OCO8)O |
| SMILES (Isomeric) | COC(=O)C1(C2C34CCC15C6(C3N(CC6)C(O2)CC4O)C7=C(N5C(=O)OC)C8=C(C=C7)OCO8)O |
| InChI | InChI=1S/C24H26N2O9/c1-31-19(28)24(30)18-21-5-6-23(24)22(7-8-25(17(21)22)14(35-18)9-13(21)27)11-3-4-12-16(34-10-33-12)15(11)26(23)20(29)32-2/h3-4,13-14,17-18,27,30H,5-10H2,1-2H3 |
| InChI Key | STKRQLFEDPDVQL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26N2O9 |
| Molecular Weight | 486.50 g/mol |
| Exact Mass | 486.16383041 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of Dimethyl 18,23-dihydroxy-11,13,20-trioxa-3,16-diazaoctacyclo[15.6.2.01,19.02,6.03,21.06,17.07,15.010,14]pentacosa-7(15),8,10(14)-triene-16,18-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/fe926290-85d7-11ee-afed-a34bb86fb432.jpg "2D Structure of Dimethyl 18,23-dihydroxy-11,13,20-trioxa-3,16-diazaoctacyclo[15.6.2.01,19.02,6.03,21.06,17.07,15.010,14]pentacosa-7(15),8,10(14)-triene-16,18-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 | 98.62% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.54% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.37% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.57% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.12% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.19% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.94% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.06% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 90.42% | 97.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.47% | 85.30% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.60% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.47% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.69% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.50% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.84% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.86% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.82% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.03% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.27% | 99.23% |
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 singapurensis |
| PubChem | 163106035 |
| LOTUS | LTS0133535 |
| wikiData | Q105260307 |