7-(3,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-one
| Internal ID | 7e86eb1b-4bb1-47c5-98b0-bda1e58f4b69 |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | 7-(3,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O5/c1-10(2)18-9-14-19(26-18)8-13-5-12(7-17(24)20(13)21(14)25)11-3-4-15(22)16(23)6-11/h3-4,6,8,12,18,22-23,25H,1,5,7,9H2,2H3 |
| InChI Key | HDCUUCHPEYAWJI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O5 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 7-(3,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-34-dihydroxyphenyl-4-hydroxy-2-prop-1-en-2-yl-3678-tetrahydro-2h-benzof1benzofuran-5-one.jpg "2D Structure of 7-(3,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-3,6,7,8-tetrahydro-2H-benzo[f][1]benzofuran-5-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 | 99.63% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.48% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.67% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.53% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.41% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.05% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.97% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.98% | 85.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.30% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.02% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.94% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.52% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.17% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.95% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.13% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.62% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.54% | 94.80% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.54% | 99.35% |
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.
| Zygogynum acsmithii |
| PubChem | 74343935 |
| LOTUS | LTS0038321 |
| wikiData | Q105026260 |