18-Ethyl-9,10-dihydroxy-8-methoxy-7,23-dimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.03,11.05,10.016,25.017,22]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15,20-tetrone
| Internal ID | fc424058-802b-408d-88fb-8afd20337a2c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | 18-ethyl-9,10-dihydroxy-8-methoxy-7,23-dimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.03,11.05,10.016,25.017,22]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15,20-tetrone |
| SMILES (Canonical) | CCC1C2=C3C(=C4C(=CC(=O)C5=C(C4=O)OC6C5(C(C(C(O6)C)OC)O)O)C3=O)C=C(N2CC(=O)O1)C |
| SMILES (Isomeric) | CCC1C2=C3C(=C4C(=CC(=O)C5=C(C4=O)OC6C5(C(C(C(O6)C)OC)O)O)C3=O)C=C(N2CC(=O)O1)C |
| InChI | InChI=1S/C26H25NO10/c1-5-14-19-17-11(6-9(2)27(19)8-15(29)36-14)16-12(20(17)30)7-13(28)18-23(21(16)31)37-25-26(18,33)24(32)22(34-4)10(3)35-25/h6-7,10,14,22,24-25,32-33H,5,8H2,1-4H3 |
| InChI Key | DKFVPRCUDYCOTC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H25NO10 |
| Molecular Weight | 511.50 g/mol |
| Exact Mass | 511.14784599 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 18-Ethyl-9,10-dihydroxy-8-methoxy-7,23-dimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.03,11.05,10.016,25.017,22]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15,20-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/9e7a2cc0-86a6-11ee-adbd-a1d7589e853a.jpg "2D Structure of 18-Ethyl-9,10-dihydroxy-8-methoxy-7,23-dimethyl-4,6,19-trioxa-22-azahexacyclo[12.11.0.03,11.05,10.016,25.017,22]pentacosa-1(25),3(11),13,16,23-pentaene-2,12,15,20-tetrone")
| 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 | 95.21% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.32% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.74% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.57% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.67% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.32% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.66% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.42% | 97.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.32% | 94.66% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.88% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.28% | 90.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.08% | 94.42% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.35% | 100.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.50% | 91.96% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.35% | 97.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.29% | 97.28% |
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.
| Arabidopsis thaliana |
| PubChem | 163190828 |
| LOTUS | LTS0160614 |
| wikiData | Q72482290 |