(2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 2-methylbut-2-enoate
| Internal ID | 659283b3-3bba-400b-b951-d431a7d27951 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | (2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C |
| InChI | InChI=1S/C19H20O5/c1-5-11(2)18(21)23-16-9-13-8-12-6-7-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3 |
| InChI Key | AGABNGOXUSXQDD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O5 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/22-dimethyl-8-oxo-34-dihydropyrano32-gchromen-3-yl-2-methylbut-2-enoate.jpg "2D Structure of (2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.11% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.54% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.66% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.17% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.65% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.83% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.68% | 92.94% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.69% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.08% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.98% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.82% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.38% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.97% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.82% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.10% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.89% | 80.00% |
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.
| Angelica gigas |
| Zosima korovinii |
| PubChem | 611538 |
| LOTUS | LTS0168798 |
| wikiData | Q104911665 |