(2R,3R)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-3,7-diol
| Internal ID | 2820e0bd-2d50-4e40-bb26-3c382e2f29ea |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavan-3-ols |
| IUPAC Name | (2R,3R)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-3,7-diol |
| SMILES (Canonical) | C1C(C(OC2=C1C=CC(=C2)O)C3=CC4=C(C=C3)OCO4)O |
| SMILES (Isomeric) | C1[C@H]([C@H](OC2=C1C=CC(=C2)O)C3=CC4=C(C=C3)OCO4)O |
| InChI | InChI=1S/C16H14O5/c17-11-3-1-9-5-12(18)16(21-14(9)7-11)10-2-4-13-15(6-10)20-8-19-13/h1-4,6-7,12,16-18H,5,8H2/t12-,16-/m1/s1 |
| InChI Key | ATNQMWUKQABBNL-MLGOLLRUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 g/mol |
| Exact Mass | 286.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
| 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 | 98.77% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.08% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.69% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.32% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.42% | 94.45% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.00% | 88.48% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.66% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.43% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.27% | 95.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.24% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.29% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.25% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.11% | 82.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.15% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.80% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.51% | 85.14% |
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.
| Habranthus brachyandrus |
| PubChem | 44475662 |
| LOTUS | LTS0143819 |
| wikiData | Q104918561 |