5,7-Dihydroxy-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]-6-methylchromen-4-one
| Internal ID | d3b3ad72-a6ec-48e1-ab62-bcae585ecfa6 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavones |
| IUPAC Name | 5,7-dihydroxy-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]-6-methylchromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H14O7/c1-8-11(19)5-13-14(15(8)20)16(21)10(6-23-13)4-9-2-3-12-18(17(9)22)25-7-24-12/h2-3,5-6,19-20,22H,4,7H2,1H3 |
| InChI Key | KDPDKVVLTWLONU-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H14O7 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]-6-methylchromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-3-4-hydroxy-13-benzodioxol-5-ylmethyl-6-methylchromen-4-one.jpg "2D Structure of 5,7-Dihydroxy-3-[(4-hydroxy-1,3-benzodioxol-5-yl)methyl]-6-methylchromen-4-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 | 97.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.01% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.55% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.60% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.29% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.79% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.65% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.61% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.49% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.90% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.25% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.43% | 99.15% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.57% | 83.82% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.25% | 93.40% |
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.
| Ophiopogon japonicus |
| PubChem | 10246745 |
| LOTUS | LTS0099036 |
| wikiData | Q105139284 |