[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (Z)-3-phenylprop-2-enoate
| Internal ID | ba9760d4-c5f3-4e95-8475-1ac6a570e22f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (Z)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H26O11/c31-18-9-7-17(8-10-18)22-14-21(33)26-20(32)12-19(13-23(26)40-22)39-30-29(37)28(36)27(35)24(41-30)15-38-25(34)11-6-16-4-2-1-3-5-16/h1-14,24,27-32,35-37H,15H2/b11-6-/t24-,27-,28+,29-,30-/m1/s1 |
| InChI Key | XOLPIGVCJFIOOY-PWTWCKKXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H26O11 |
| Molecular Weight | 562.50 g/mol |
| Exact Mass | 562.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (Z)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/aa90f8b0-86c2-11ee-8f2b-ddfb608c52fb.jpg "2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl (Z)-3-phenylprop-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 | 99.60% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.73% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.88% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.13% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 94.68% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.67% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.20% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.68% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.33% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.39% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.66% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.89% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.80% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.44% | 97.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.77% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.40% | 99.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.72% | 83.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.40% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.50% | 85.14% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 80.32% | 94.23% |
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.
| Tinospora crispa |
| PubChem | 122183635 |
| LOTUS | LTS0219549 |
| wikiData | Q105337803 |