[(4S)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(4-hydroxy-1-benzofuran-5-yl)methanone
| Internal ID | dc16c793-a259-48b6-8f4b-7f71d9796774 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | [(4S)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(4-hydroxy-1-benzofuran-5-yl)methanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H18O6/c1-23-17-9-14-11(5-7-26-16(14)10-18(17)24-2)19(21)13-3-4-15-12(20(13)22)6-8-25-15/h3-4,6,8-11,22H,5,7H2,1-2H3/t11-/m0/s1 |
| InChI Key | LNFFPTUYVDSHPV-NSHDSACASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 78.10 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [(4S)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(4-hydroxy-1-benzofuran-5-yl)methanone](https://plantaedb.com/storage/docs/compounds/2023/11/4s-67-dimethoxy-34-dihydro-2h-chromen-4-yl-4-hydroxy-1-benzofuran-5-ylmethanone.jpg "2D Structure of [(4S)-6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-(4-hydroxy-1-benzofuran-5-yl)methanone")
| 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 | 99.01% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.75% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.83% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.44% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.21% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.73% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.16% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.93% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.82% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.80% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.26% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.25% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.40% | 85.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.15% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.99% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.77% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.29% | 91.19% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.29% | 94.80% |
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.
| Millettia duchesnei |
| PubChem | 162877367 |
| LOTUS | LTS0217669 |
| wikiData | Q105154304 |