[3,4,5-Trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl but-2-enoate
| Internal ID | 30510b34-b97d-4bb2-a1a5-858f6e8f071e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | [3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl but-2-enoate |
| SMILES (Canonical) | CC=CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)OC)O)O)O |
| SMILES (Isomeric) | CC=CC(=O)OCC1C(C(C(C(O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)OC)O)O)O |
| InChI | InChI=1S/C26H26O10/c1-3-4-21(27)34-13-20-23(29)24(30)25(31)26(36-20)35-16-9-10-17-19(11-16)33-12-18(22(17)28)14-5-7-15(32-2)8-6-14/h3-12,20,23-26,29-31H,13H2,1-2H3 |
| InChI Key | UNGLMQNWMJMOML-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H26O10 |
| Molecular Weight | 498.50 g/mol |
| Exact Mass | 498.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl but-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/345-trihydroxy-6-3-4-methoxyphenyl-4-oxochromen-7-yloxyoxan-2-ylmethyl-but-2-enoate.jpg "2D Structure of [3,4,5-Trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl but-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 | 98.92% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.39% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.14% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.84% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.26% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.66% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.50% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.48% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.43% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.19% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.13% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.62% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.09% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.03% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.91% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.85% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.62% | 90.00% |
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.
| Ammopiptanthus mongolicus |
| PubChem | 162867737 |
| LOTUS | LTS0214080 |
| wikiData | Q105275969 |