7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one
| Internal ID | bee66791-7202-470d-a42b-aa229c05593d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H32O14/c1-36-14-5-3-13(4-6-14)16-10-38-17-8-19(18(37-2)7-15(17)21(16)31)40-26-24(23(33)22(32)20(9-29)41-26)42-27-25(34)28(35,11-30)12-39-27/h3-8,10,20,22-27,29-30,32-35H,9,11-12H2,1-2H3 |
| InChI Key | VVSQZIYHJQSIII-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O14 |
| Molecular Weight | 592.50 g/mol |
| Exact Mass | 592.17920569 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9da8f330-85ac-11ee-b6f5-6f8641b52bd4.jpg "2D Structure of 7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-methoxy-3-(4-methoxyphenyl)chromen-4-one")
| 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 | 99.07% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.60% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.99% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.74% | 89.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 95.69% | 92.98% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.24% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.87% | 86.92% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.05% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.79% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.67% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.57% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.63% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.62% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.41% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.45% | 96.77% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.04% | 97.36% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.03% | 97.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.16% | 97.28% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.62% | 95.83% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.49% | 95.53% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.27% | 94.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.25% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.64% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.60% | 99.23% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.57% | 95.12% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 82.31% | 94.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.18% | 99.17% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.79% | 90.95% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 80.13% | 96.47% |
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.
| Centrosema pubescens |
| PubChem | 163078832 |
| LOTUS | LTS0026443 |
| wikiData | Q105297857 |