6,8-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
| Internal ID | dd5cf35a-582b-4edd-b431-65651ae0574f |
| Taxonomy | Lignans, neolignans and related compounds > Flavonolignans |
| IUPAC Name | 6,8-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C4=C3OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C4=C3OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O |
| InChI | InChI=1S/C25H20O10/c1-32-16-8-12(4-7-14(16)28)22-18(10-26)34-24-17(33-22)9-15(29)19-20(30)21(31)23(35-25(19)24)11-2-5-13(27)6-3-11/h2-9,18,22,26-29,31H,10H2,1H3 |
| InChI Key | POVCYOFRCMBMKD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H20O10 |
| Molecular Weight | 480.40 g/mol |
| Exact Mass | 480.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 6,8-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/77e72220-8379-11ee-b0ef-ed166f0f7edf.jpg "2D Structure of 6,8-Dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-9-(4-hydroxyphenyl)-2,3-dihydropyrano[3,2-h][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 | 99.73% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.04% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.34% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.39% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.47% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.29% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.27% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.09% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.98% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.98% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.14% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.78% | 86.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.64% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.79% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.51% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.41% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 83.19% | 90.71% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.08% | 88.48% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.39% | 97.14% |
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.
| Rhodiola rosea |
| PubChem | 14778357 |
| LOTUS | LTS0214343 |
| wikiData | Q105212695 |