2-(3,4-Dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
| Internal ID | efb2bf09-2667-408a-844c-482495932846 |
| Taxonomy | Lignans, neolignans and related compounds > Coumarinolignans |
| IUPAC Name | 2-(3,4-dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)O)C2C(OC3=C(O2)C=C4C=CC(=O)OC4=C3)CO |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)O)C2C(OC3=C(O2)C=C4C=CC(=O)OC4=C3)CO |
| InChI | InChI=1S/C19H16O8/c1-24-15-6-10(4-11(21)18(15)23)19-16(8-20)25-14-7-12-9(5-13(14)27-19)2-3-17(22)26-12/h2-7,16,19-21,23H,8H2,1H3 |
| InChI Key | VGZRCMZZGCYWKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16O8 |
| Molecular Weight | 372.30 g/mol |
| Exact Mass | 372.08451746 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-Dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-34-dihydroxy-5-methoxyphenyl-3-hydroxymethyl-23-dihydropyrano23-g14benzodioxin-7-one.jpg "2D Structure of 2-(3,4-Dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-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 | 99.23% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.68% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.82% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.69% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.65% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.41% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.61% | 99.23% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.27% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.59% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.81% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.32% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.56% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.09% | 83.82% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.48% | 94.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.76% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.38% | 94.73% |
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.
| Grewia bilamellata |
| PubChem | 73007043 |
| LOTUS | LTS0048029 |
| wikiData | Q105286247 |