7-Hydroxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
| Internal ID | ae9b42cb-8a67-4d83-a0df-537483430a76 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 7-hydroxy-3-(2-methylbut-3-en-2-yl)chromen-2-one |
| SMILES (Canonical) | CC(C)(C=C)C1=CC2=C(C=C(C=C2)O)OC1=O |
| SMILES (Isomeric) | CC(C)(C=C)C1=CC2=C(C=C(C=C2)O)OC1=O |
| InChI | InChI=1S/C14H14O3/c1-4-14(2,3)11-7-9-5-6-10(15)8-12(9)17-13(11)16/h4-8,15H,1H2,2-3H3 |
| InChI Key | MZBAWTYBJIIUQC-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H14O3 |
| Molecular Weight | 230.26 g/mol |
| Exact Mass | 230.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.50 |
| 7-hydroxy-3-(2-methylbut-3-en-2-yl)chromen-2-one |
| CHEMBL71850 |
| 7-Hydroxy-3-(1,1-dimethylprop-2-enyl)coumarin |
| DTXSID20418603 |
| CHEBI:183588 |
| MZBAWTYBJIIUQC-UHFFFAOYSA-N |
| BDBM50404370 |
| 7-hydroxy-3-(1,1-dimethylprop-2-enyl) coumarin |
| 7-hydroxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one |
| 3-(1,1-Dimethyl-2-propenyl)-7-hydroxy-2H-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 | 95.05% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.06% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.95% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.46% | 83.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.08% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.00% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.77% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.89% | 90.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.69% | 80.78% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.56% | 94.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.09% | 85.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.65% | 90.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.32% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.86% | 99.23% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.75% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.47% | 93.65% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.01% | 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.
| Clausena lansium |
| Dictamnus albus |
| Ruta angustifolia |
| PubChem | 5363192 |
| LOTUS | LTS0154757 |
| wikiData | Q82229194 |