[3-Hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] 2-methylbut-2-enoate
Internal ID | f29f80e9-0aab-4c4b-8079-8d6050ef3b64 |
Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
IUPAC Name | [3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] 2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O |
SMILES (Isomeric) | CC=C(C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O |
InChI | InChI=1S/C21H22O7/c1-5-12(2)20(23)28-17(21(3,4)24)11-26-19-13-6-7-18(22)27-16(13)10-15-14(19)8-9-25-15/h5-10,17,24H,11H2,1-4H3 |
InChI Key | WXULKGXQMWVWMP-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H22O7 |
Molecular Weight | 386.40 g/mol |
Exact Mass | 386.13655304 g/mol |
Topological Polar Surface Area (TPSA) | 95.20 Ų |
XlogP | 3.40 |
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 | 98.79% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.10% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.46% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 95.17% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.74% | 99.17% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.85% | 89.34% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.27% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.04% | 95.56% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.11% | 93.65% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.62% | 97.21% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.47% | 94.00% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.12% | 94.03% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.38% | 96.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.91% | 93.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.96% | 86.33% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.90% | 100.00% |
CHEMBL2535 | P11166 | Glucose transporter | 80.41% | 98.75% |
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 komarovii |
Cicerbita alpina |
Peucedanum ostruthium |
PubChem | 73291529 |
LOTUS | LTS0212672 |
wikiData | Q105314962 |