7-hydroxy-5-[(E)-3-methyl-4-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-one
| Internal ID | 19b09ad5-8b62-40a9-a110-bf628538afc9 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 7-hydroxy-5-[(E)-3-methyl-4-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-one |
| SMILES (Canonical) | CC1=CC(OC1=O)CC(=CCOC2=CC(=CC3=C2C=CC(=O)O3)O)C |
| SMILES (Isomeric) | CC1=C[C@H](OC1=O)C/C(=C/COC2=CC(=CC3=C2C=CC(=O)O3)O)/C |
| InChI | InChI=1S/C19H18O6/c1-11(7-14-8-12(2)19(22)24-14)5-6-23-16-9-13(20)10-17-15(16)3-4-18(21)25-17/h3-5,8-10,14,20H,6-7H2,1-2H3/b11-5+/t14-/m1/s1 |
| InChI Key | NOLXJURGCOVKJG-RKXVYHDYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 7-hydroxy-5-[(E)-3-methyl-4-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-5-e-3-methyl-4-2r-4-methyl-5-oxo-2h-furan-2-ylbut-2-enoxychromen-2-one.jpg "2D Structure of 7-hydroxy-5-[(E)-3-methyl-4-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-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 | 97.82% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.86% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.16% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.82% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.84% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.33% | 92.51% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.86% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.65% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.60% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.77% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.44% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.06% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.75% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.63% | 98.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.35% | 94.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.00% | 89.62% |
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.
| Clausena lansium |
| PubChem | 163195208 |
| LOTUS | LTS0137595 |
| wikiData | Q105182636 |