(3S)-3,5-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7,8-dimethoxy-2H-chromen-4-one
| Internal ID | 87cc8963-65ea-410a-be9b-27df11fd235c |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans |
| IUPAC Name | (3S)-3,5-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7,8-dimethoxy-2H-chromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)CC2(COC3=C(C2=O)C(=CC(=C3OC)OC)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C[C@@]2(COC3=C(C2=O)C(=CC(=C3OC)OC)O)O)O |
| InChI | InChI=1S/C19H20O8/c1-24-13-5-4-10(6-11(13)20)8-19(23)9-27-17-15(18(19)22)12(21)7-14(25-2)16(17)26-3/h4-7,20-21,23H,8-9H2,1-3H3/t19-/m0/s1 |
| InChI Key | ZNYNLYGXWUWQKP-IBGZPJMESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O8 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (3S)-3,5-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7,8-dimethoxy-2H-chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-35-dihydroxy-3-3-hydroxy-4-methoxyphenylmethyl-78-dimethoxy-2h-chromen-4-one.jpg "2D Structure of (3S)-3,5-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-7,8-dimethoxy-2H-chromen-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 | 97.66% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.78% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.56% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.10% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.37% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.12% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.37% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.20% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.60% | 90.20% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.24% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.63% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.27% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.04% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.78% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.35% | 90.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.22% | 95.53% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.53% | 93.99% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.45% | 96.77% |
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.
| Pseudoprospero firmifolium |
| PubChem | 163082382 |
| LOTUS | LTS0076162 |
| wikiData | Q105380300 |