3-(1,1-Dimethylallyl)-7-hydroxy-8-methoxy-chromen-2-one
| Internal ID | bc2cd53e-512a-416a-a740-9cf6ad7211ff |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 7-hydroxy-8-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one |
| SMILES (Canonical) | CC(C)(C=C)C1=CC2=C(C(=C(C=C2)O)OC)OC1=O |
| SMILES (Isomeric) | CC(C)(C=C)C1=CC2=C(C(=C(C=C2)O)OC)OC1=O |
| InChI | InChI=1S/C15H16O4/c1-5-15(2,3)10-8-9-6-7-11(16)13(18-4)12(9)19-14(10)17/h5-8,16H,1H2,2-4H3 |
| InChI Key | JJIFPBFUGHXSGM-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.50 |
| 3-(1,1-dimethylallyl)-7-hydroxy-8-methoxy-chromen-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.52% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.45% | 83.82% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 94.35% | 80.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.99% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.74% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.26% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.37% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.66% | 85.30% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 83.69% | 98.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.43% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.88% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.62% | 99.17% |
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.
| Boenninghausenia albiflora |
| Pilocarpus riedelianus |
| PubChem | 71588364 |
| LOTUS | LTS0098161 |
| wikiData | Q105129670 |