(3S)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one
| Internal ID | 8fd3188b-8a36-4ebb-ba46-cc415f5f2f16 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids > Homoisoflavans > Homoisoflavanones |
| IUPAC Name | (3S)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC[C@@H](C2=O)CC3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C17H16O5/c1-21-13-7-14(19)16-15(8-13)22-9-11(17(16)20)6-10-2-4-12(18)5-3-10/h2-5,7-8,11,18-19H,6,9H2,1H3/t11-/m0/s1 |
| InChI Key | FULPZMATFBTFNA-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (3S)-5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-5-hydroxy-3-4-hydroxyphenylmethyl-7-methoxy-23-dihydrochromen-4-one.jpg "2D Structure of (3S)-5-hydroxy-3-[(4-hydroxyphenyl)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 | 97.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.49% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.77% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.57% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.46% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.39% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.85% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.55% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.00% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.63% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.64% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.87% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.67% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.15% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.96% | 98.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.43% | 93.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.78% | 85.14% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.19% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.86% | 93.40% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.27% | 95.53% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.20% | 94.73% |
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 | 132989027 |
| LOTUS | LTS0101569 |
| wikiData | Q105001823 |