[2-Hydroxy-2-[9-(3-methylbutanoyloxy)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propyl] 2-methylbut-2-enoate
| Internal ID | 0f1afc16-3cac-4ab5-9514-54a5c4fb2f82 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Angular furanocoumarins |
| IUPAC Name | [2-hydroxy-2-[9-(3-methylbutanoyloxy)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propyl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H28O8/c1-6-14(4)23(27)29-12-24(5,28)22-21(32-18(26)11-13(2)3)19-16(30-22)9-7-15-8-10-17(25)31-20(15)19/h6-10,13,21-22,28H,11-12H2,1-5H3 |
| InChI Key | XECDMXMTNJQFPP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O8 |
| Molecular Weight | 444.50 g/mol |
| Exact Mass | 444.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-2-[9-(3-methylbutanoyloxy)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propyl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/5b923810-85a8-11ee-b598-1b8e7521604a.jpg "2D Structure of [2-Hydroxy-2-[9-(3-methylbutanoyloxy)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propyl] 2-methylbut-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.08% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.67% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.05% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.46% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.21% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.01% | 91.11% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.94% | 95.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.86% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.35% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.05% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.21% | 97.79% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.04% | 83.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.69% | 96.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.14% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.13% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.98% | 96.00% |
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.
| Peucedanum oreoselinum |
| PubChem | 162846605 |
| LOTUS | LTS0069764 |
| wikiData | Q105326242 |