6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin
| Internal ID | 4272c16c-e488-4850-8c2f-3d3b976adad0 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one |
| SMILES (Canonical) | CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O |
| SMILES (Isomeric) | CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O |
| InChI | InChI=1S/C15H18O5/c1-15(2,18)13(16)7-10-6-9-4-5-14(17)20-12(9)8-11(10)19-3/h4-6,8,13,16,18H,7H2,1-3H3 |
| InChI Key | BNLKKFPQJANWMM-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C15H18O5 |
| Molecular Weight | 278.30 g/mol |
| Exact Mass | 278.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.50 |
| 2',3'-Dihydroxydihydrosuberosin |
| 36149-96-9 |
| Ulopterol; 6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxycoumarin |
| (R)-6-(2,3-Dihydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one |
| MEGxp0_001496 |
| SCHEMBL6273924 |
| ACon1_000144 |
| DTXSID00345509 |
| BNLKKFPQJANWMM-UHFFFAOYSA-N |
| 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-7-methoxy- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.98% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.60% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.01% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.36% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.02% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.61% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.60% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.98% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.70% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.79% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.74% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.25% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.75% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.27% | 96.00% |
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.
| Coleonema album |
| Prangos pabularia |
| Skimmia laureola |
| PubChem | 605103 |
| LOTUS | LTS0262615 |
| wikiData | Q82118060 |