(3S)-3-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-7-methoxy-3H-2-benzofuran-1-one
| Internal ID | d0d40011-05d7-4b92-ad35-39169f25c09f |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Benzofuranones |
| IUPAC Name | (3S)-3-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-7-methoxy-3H-2-benzofuran-1-one |
| SMILES (Canonical) | COC1=CC=CC2=C1C(=O)OC2C(C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | COC1=CC=CC2=C1C(=O)O[C@@H]2[C@@H](C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C16H14O5/c1-20-12-4-2-3-11-13(12)16(19)21-15(11)14(18)9-5-7-10(17)8-6-9/h2-8,14-15,17-18H,1H3/t14-,15+/m1/s1 |
| InChI Key | LYNFREMMAZMUMW-CABCVRRESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O5 |
| Molecular Weight | 286.28 g/mol |
| Exact Mass | 286.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (3S)-3-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-7-methoxy-3H-2-benzofuran-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s-3-r-hydroxy-4-hydroxyphenylmethyl-7-methoxy-3h-2-benzofuran-1-one.jpg "2D Structure of (3S)-3-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-7-methoxy-3H-2-benzofuran-1-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.12% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.87% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.69% | 98.75% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 90.12% | 91.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.68% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.08% | 99.23% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.89% | 94.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.82% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.25% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.79% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.20% | 90.20% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.19% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.17% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.37% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.43% | 95.89% |
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.
| Gelasia tomentosa |
| PubChem | 102273953 |
| LOTUS | LTS0079033 |
| wikiData | Q105159439 |