(2,2-Dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) 4-hydroxy-2-methylbut-2-enoate
Internal ID | 160c849c-1826-4d92-ba49-d0df5cf1fa30 |
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) 4-hydroxy-2-methylbut-2-enoate |
SMILES (Canonical) | CC(=CCO)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C |
SMILES (Isomeric) | CC(=CCO)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C |
InChI | InChI=1S/C19H20O6/c1-11(6-7-20)18(22)24-16-9-13-8-12-4-5-17(21)23-14(12)10-15(13)25-19(16,2)3/h4-6,8,10,16,20H,7,9H2,1-3H3 |
InChI Key | XQXMDWBFCPASSF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H20O6 |
Molecular Weight | 344.40 g/mol |
Exact Mass | 344.12598835 g/mol |
Topological Polar Surface Area (TPSA) | 82.10 Ų |
XlogP | 2.40 |
There are no found synonyms. |
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 | 99.16% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.24% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 95.54% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.34% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.07% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.95% | 99.23% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.81% | 94.73% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.66% | 94.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.53% | 99.17% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.89% | 91.24% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.43% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.06% | 89.00% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.32% | 91.19% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.76% | 100.00% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.54% | 94.75% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.38% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.14% | 92.94% |
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 |
PubChem | 73797070 |
LOTUS | LTS0235750 |
wikiData | Q105340167 |