(2S)-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
| Internal ID | 3271bda3-dadf-40c9-b699-e80e3942e32c |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | (2S)-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol |
| SMILES (Canonical) | COC1=CC(=CC(=C1OC)OC)C2CC3=CC(=C(C=C3O2)O)CC=C |
| SMILES (Isomeric) | COC1=CC(=CC(=C1OC)OC)[C@@H]2CC3=CC(=C(C=C3O2)O)CC=C |
| InChI | InChI=1S/C20H22O5/c1-5-6-12-7-13-8-16(25-17(13)11-15(12)21)14-9-18(22-2)20(24-4)19(10-14)23-3/h5,7,9-11,16,21H,1,6,8H2,2-4H3/t16-/m0/s1 |
| InChI Key | XWBGDLYANYGUJK-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
| 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 | 99.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.82% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.06% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.27% | 99.17% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 91.56% | 96.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.63% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.36% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.57% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.48% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.25% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.09% | 89.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.08% | 96.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.06% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.64% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.45% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.19% | 100.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.13% | 96.86% |
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.
| Rhodostemonodaphne miranda |
| PubChem | 163087999 |
| LOTUS | LTS0173069 |
| wikiData | Q105343294 |