[3-Hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] acetate
| Internal ID | 1550aa72-85a7-4a32-81dd-4f05326d5908 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
| IUPAC Name | [3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] acetate |
| SMILES (Canonical) | CC(=O)OC(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C(C)(C)O |
| SMILES (Isomeric) | CC(=O)OC(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C(C)(C)O |
| InChI | InChI=1S/C18H18O7/c1-10(19)24-13(18(2,3)21)9-23-17-15-12(6-7-22-15)8-11-4-5-14(20)25-16(11)17/h4-8,13,21H,9H2,1-3H3 |
| InChI Key | TZADBBMPNXMTBQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H18O7 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 95.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [3-Hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-3-methyl-1-7-oxofuro32-gchromen-9-yloxybutan-2-yl-acetate.jpg "2D Structure of [3-Hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.03% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.61% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.57% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.43% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.32% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.52% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.80% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.87% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.63% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.46% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.04% | 86.33% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.63% | 92.29% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.13% | 95.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.33% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.52% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.37% | 83.82% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.57% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.53% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.99% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.72% | 85.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.59% | 100.00% |
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.
| Ammi majus |
| PubChem | 13845714 |
| LOTUS | LTS0069279 |
| wikiData | Q105267855 |