[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-3-(3-hydroxyphenyl)prop-2-enoate
| Internal ID | c17abd81-6d1b-49d9-a79e-ddd4c62044d9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-3-(3-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H26O12/c1-14-27(41-22(35)10-5-15-3-2-4-18(32)11-15)25(37)26(38)30(39-14)42-29-24(36)23-20(34)12-19(33)13-21(23)40-28(29)16-6-8-17(31)9-7-16/h2-14,25-27,30-34,37-38H,1H3/b10-5-/t14-,25-,26+,27-,30-/m0/s1 |
| InChI Key | RHUHUHCSWSRUQC-GSNXOPFFSA-N |
| Popularity | 2 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 | 3.50 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-3-(3-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/10d599b0-8576-11ee-9151-d5a0b7db4838.jpg "2D Structure of [(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] (Z)-3-(3-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 | 99.34% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 99.01% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.86% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.93% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.01% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.80% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 93.70% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.57% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.60% | 95.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.26% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.06% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.78% | 95.50% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 86.60% | 88.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.42% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.61% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.51% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.24% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.75% | 91.71% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.74% | 96.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.12% | 98.35% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.03% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.20% | 97.09% |
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.
| Qualea grandiflora |
| PubChem | 163095813 |
| LOTUS | LTS0184458 |
| wikiData | Q105236624 |