1-(1,3-Dihydro-2-benzofuran-1-yl)hex-4-ene-2,3-diol
| Internal ID | 864a1a87-e352-40dc-9434-a0a45cad4f51 |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans |
| IUPAC Name | 1-(1,3-dihydro-2-benzofuran-1-yl)hex-4-ene-2,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H18O3/c1-2-5-12(15)13(16)8-14-11-7-4-3-6-10(11)9-17-14/h2-7,12-16H,8-9H2,1H3 |
| InChI Key | VVDFJJZWKCQBJC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.29 g/mol |
| Exact Mass | 234.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 1.10 |
| 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 | 95.44% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.67% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.05% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.85% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.69% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.57% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.45% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.25% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.76% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.75% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.34% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.60% | 93.56% |
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.
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| There are no matching plants. |
| PubChem | 163014283 |
| LOTUS | LTS0077740 |
| wikiData | Q105297599 |