7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one
| Internal ID | 9af00e9c-9cc0-4315-aa3a-094678d4ee51 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one |
| SMILES (Canonical) | CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O)O |
| SMILES (Isomeric) | CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O)O |
| InChI | InChI=1S/C15H18O6/c1-15(2,19)14(18)13(17)9-6-8-4-5-12(16)21-10(8)7-11(9)20-3/h4-7,13-14,17-19H,1-3H3 |
| InChI Key | PCSZTTAMZGNQNB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O6 |
| Molecular Weight | 294.30 g/mol |
| Exact Mass | 294.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 0.30 |
| 7-METHOXY-6-(1,2,3-TRIHYDROXY-3-METHYLBUTYL)CHROMEN-2-ONE |
| Compound NP-015826 |
| CHEBI:181116 |
| AKOS040738709 |
| 7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)-2H-1-benzopyran-2-one |
| 176022-53-0 |
| 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 | 96.76% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.67% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.68% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.77% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.91% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.52% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.17% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.54% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.96% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.85% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.78% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.80% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.45% | 94.73% |
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 pubescens |
| Citrus × aurantium |
| Citrus maxima |
| PubChem | 44715831 |
| LOTUS | LTS0117141 |
| wikiData | Q81983351 |