2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 1d97aed2-ec26-4348-a3de-a304624f009b |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
| IUPAC Name | 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C=CC4=CC=C(C=C4)O |
| SMILES (Isomeric) | CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)/C=C/C4=CC=C(C=C4)O |
| InChI | InChI=1S/C23H20O6/c1-23(2,29-22(26)9-5-14-3-7-17(24)8-4-14)20-12-16-11-15-6-10-21(25)28-18(15)13-19(16)27-20/h3-11,13,20,24H,12H2,1-2H3/b9-5+ |
| InChI Key | RKAIOFHOPUEFQQ-WEVVVXLNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H20O6 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-7-oxo-23-dihydrofuro32-gchromen-2-ylpropan-2-yl-e-3-4-hydroxyphenylprop-2-enoate.jpg "2D Structure of 2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate")
| 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 | 98.21% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.17% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.66% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.53% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.10% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.69% | 94.45% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 87.80% | 85.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.67% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.57% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.52% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.05% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.50% | 93.99% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.43% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.00% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.89% | 95.78% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.55% | 90.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.45% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.45% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.75% | 96.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.38% | 97.33% |
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.
| Seseli asperulum |
| Seseli transcaucasicum |
| PubChem | 101311663 |
| LOTUS | LTS0105337 |
| wikiData | Q105238273 |