2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | f6ddf5ea-701b-40d3-b179-cc3c0062c9f4 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Neoflavans |
| IUPAC Name | 2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C2C(C(OC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C2C(C(OC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(C(O4)CO)O)O)O |
| InChI | InChI=1S/C27H36O14/c1-35-14-5-11(6-15(36-2)21(14)30)19-12(10-39-27-25(34)24(33)22(31)18(9-29)41-27)17(8-28)40-13-7-16(37-3)23(32)26(38-4)20(13)19/h5-7,12,17-19,22,24-25,27-34H,8-10H2,1-4H3 |
| InChI Key | PUTDSHQXPGHGAQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O14 |
| Molecular Weight | 584.60 g/mol |
| Exact Mass | 584.21050582 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/fde779e0-8745-11ee-82ce-ad76654c342e.jpg "2D Structure of 2-[[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 99.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.79% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.10% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.00% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.59% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.46% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.96% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.78% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.50% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.32% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.25% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.69% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.08% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.30% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.52% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.23% | 89.62% |
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.
| There are no matching plants. |
| PubChem | 162930070 |
| LOTUS | LTS0113220 |
| wikiData | Q105215268 |