[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 280c6367-cb13-42d1-aeec-28879df02a46 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2C(C(OC(C2O)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OC2C(C(OC(C2O)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O |
| InChI | InChI=1S/C30H26O13/c31-13-24-27(38)29(43-25(37)8-3-14-1-5-16(32)6-2-14)28(39)30(42-24)40-17-10-20(35)26-21(36)12-22(41-23(26)11-17)15-4-7-18(33)19(34)9-15/h1-12,24,27-35,38-39H,13H2 |
| InChI Key | DYNVRVBFXQNVFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O13 |
| Molecular Weight | 594.50 g/mol |
| Exact Mass | 594.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1c808890-80df-11ee-98dc-95213f53efc4.jpg "2D Structure of [2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.84% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.38% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.86% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 97.30% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.32% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.24% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.57% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.84% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.80% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.97% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.84% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.72% | 91.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 89.52% | 98.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.46% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.22% | 97.28% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.63% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.00% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.73% | 96.00% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 81.56% | 88.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.28% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.09% | 85.14% |
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.
| Phlomis crinita |
| PubChem | 162967731 |
| LOTUS | LTS0198730 |
| wikiData | Q104991466 |