7-(2-Hydroxyethyl)-monascorubramine
| Internal ID | b77b6110-a865-430b-badf-d73fe8474fac |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 7-(2-hydroxyethyl)-9a-methyl-3-octanoyl-6-[(Z)-prop-1-enyl]furo[3,2-g]isoquinoline-2,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H31NO5/c1-4-6-7-8-9-11-21(28)22-20-15-17-14-18(10-5-2)26(12-13-27)16-19(17)23(29)25(20,3)31-24(22)30/h5,10,14-16,27H,4,6-9,11-13H2,1-3H3/b10-5- |
| InChI Key | NNVANSMEQBWXHJ-YHYXMXQVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31NO5 |
| Molecular Weight | 425.50 g/mol |
| Exact Mass | 425.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.52% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.23% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.52% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.02% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.30% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.95% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.39% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.98% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.59% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.07% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.54% | 89.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.28% | 92.86% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.84% | 99.23% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.38% | 92.08% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.21% | 80.00% |
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.
| There are no matching plants. |
| PubChem | 139584399 |
| LOTUS | LTS0122626 |
| wikiData | Q77368376 |