[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
| Internal ID | 8ee5cb5d-53c4-45a5-87aa-255c8f1a40ab |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | [5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChI | InChI=1S/C30H26O12/c31-14-24-27(36)28(37)29(38)30(42-24)40-18-8-1-15(2-9-18)3-10-25(35)39-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-6-17(32)7-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1 |
| InChI Key | VHJGLEXCUXECKZ-ZZSHFKPLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O12 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/7259e4a0-85dc-11ee-9902-ed1ec49835bc.jpg "2D Structure of [5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]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 | 99.70% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.69% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 97.02% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.16% | 86.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.90% | 83.57% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.86% | 86.92% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.40% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.11% | 91.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.05% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.95% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.12% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.52% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.67% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.81% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.93% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.62% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.36% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.22% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.91% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.88% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.23% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.72% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.12% | 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.
| Sideritis raeseri |
| PubChem | 14482780 |
| LOTUS | LTS0084650 |
| wikiData | Q105286456 |