3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one
| Internal ID | 591c690d-e602-4ffe-8519-0a322debfa0f |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C17H16O6/c1-22-17-12(19)7-13-14(16(17)21)15(20)10(8-23-13)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3 |
| InChI Key | CGCVUMRAPMFWDT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O6 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.80 |
| CHEMBL2004107 |
| 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one |
| NSC-720873 |
| NCI60_041425 |
| 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 | 98.83% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.90% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.96% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.35% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.76% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.61% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.51% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.92% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.45% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.29% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.52% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.91% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.63% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.41% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.59% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.96% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.79% | 98.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.10% | 93.10% |
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.
| Ledebouria floribunda |
| Leopoldia comosa |
| Merwilla dracomontana |
| Merwilla plumbea |
| Muscari neglectum |
| Schizocarphus nervosus |
| Scilla luciliae |
| Soymida febrifuga |
| PubChem | 404572 |
| LOTUS | LTS0157051 |
| wikiData | Q104957505 |