Pterybinthinone
| Internal ID | 96999566-23a1-4f97-9941-ec58fcb9f080 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens |
| IUPAC Name | 2-hydroxy-2-(2-hydroxypropan-2-yl)-3H-furo[3,2-g]chromen-7-one |
| SMILES (Canonical) | CC(C)(C1(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O |
| SMILES (Isomeric) | CC(C)(C1(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O |
| InChI | InChI=1S/C14H14O5/c1-13(2,16)14(17)7-9-5-8-3-4-12(15)18-10(8)6-11(9)19-14/h3-6,16-17H,7H2,1-2H3 |
| InChI Key | UCDAWFNICCNZOP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H14O5 |
| Molecular Weight | 262.26 g/mol |
| Exact Mass | 262.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.10 |
| Pterybinthinone |
| 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-hydroxy-2-(1-hydroxy-1-methylethyl)- |
| DTXSID20991067 |
| 2-Hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one |
| 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 | 97.17% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.06% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.46% | 97.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.41% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.58% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.58% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.59% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.51% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.36% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.31% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.70% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.90% | 93.65% |
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.
| There are no matching plants. |
| PubChem | 191959 |
| LOTUS | LTS0065999 |
| wikiData | Q82980736 |