[1-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate
| Internal ID | 05a92aa0-8487-42ca-8315-c13c90a0ce51 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | [1-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H22O13/c1-9(34-24(33)21-19(29)18(28)20(30)23(32)37-21)22(31)35-12-6-13(26)17-14(27)8-15(36-16(17)7-12)10-2-4-11(25)5-3-10/h2-9,18-21,23,25-26,28-30,32H,1H3 |
| InChI Key | NFVIVUKVTBRZJH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H22O13 |
| Molecular Weight | 518.40 g/mol |
| Exact Mass | 518.10604075 g/mol |
| Topological Polar Surface Area (TPSA) | 210.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of [1-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/a6ed0c20-85c1-11ee-9a78-03b1dace173e.jpg "2D Structure of [1-[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate")
| 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 | 98.40% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.56% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.12% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.08% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.06% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.34% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.77% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.32% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 88.76% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.96% | 91.49% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 87.54% | 89.23% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.99% | 95.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.68% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.45% | 99.23% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.03% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.76% | 99.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.89% | 85.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.67% | 86.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.58% | 83.57% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.64% | 93.65% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.31% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.75% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.36% | 95.89% |
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.
| Marrubium vulgare |
| PubChem | 163001030 |
| LOTUS | LTS0198317 |
| wikiData | Q105178704 |