N-(4,7-dihydroxy-8-methyl-2-oxochromen-3-yl)-4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)benzamide
| Internal ID | f1e02eec-b8dd-4d39-9e62-7cbc1a843d00 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | N-(4,7-dihydroxy-8-methyl-2-oxochromen-3-yl)-4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)benzamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H21NO7/c1-10(2)17(26)9-13-8-12(4-6-16(13)25)21(28)23-18-19(27)14-5-7-15(24)11(3)20(14)30-22(18)29/h4-8,17,24-27H,1,9H2,2-3H3,(H,23,28) |
| InChI Key | NMJKLLUCHZDXRI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H21NO7 |
| Molecular Weight | 411.40 g/mol |
| Exact Mass | 411.13180201 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 2.80 |
| CHEMBL1097856 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.70% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.05% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.53% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.14% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.08% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.07% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.45% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.91% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.32% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.83% | 99.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.71% | 81.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.22% | 90.20% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.57% | 99.23% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 84.13% | 85.83% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.77% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.07% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.15% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.41% | 94.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.21% | 94.00% |
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.
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| There are no matching plants. |
| PubChem | 54734322 |
| LOTUS | LTS0079993 |
| wikiData | Q104172635 |