(3S)-5-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
| Internal ID | b15f7cb2-ecc8-4ee4-b8b3-5c898b8d22d1 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3S)-5-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OCC(C2=O)CC3=CC(=C(C=C3)O)OC)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC[C@@H](C2=O)CC3=CC(=C(C=C3)O)OC)O |
| InChI | InChI=1S/C18H18O6/c1-22-12-7-14(20)17-16(8-12)24-9-11(18(17)21)5-10-3-4-13(19)15(6-10)23-2/h3-4,6-8,11,19-20H,5,9H2,1-2H3/t11-/m0/s1 |
| InChI Key | VSUZMLIEPGKFQG-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (3S)-5-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-5-hydroxy-3-4-hydroxy-3-methoxyphenylmethyl-7-methoxy-23-dihydrochromen-4-one.jpg "2D Structure of (3S)-5-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-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 | 98.39% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.64% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.89% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.07% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.60% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.61% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.58% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.46% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.27% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.05% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.07% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.75% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.64% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.04% | 89.00% |
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.
| Schizocarphus nervosus |
| PubChem | 162967056 |
| LOTUS | LTS0265045 |
| wikiData | Q105292557 |