7-[(2R)-2-hydroxy-3-methylbutoxy]-6-methoxychromen-2-one
| Internal ID | 7262d9d6-05a0-468d-a67d-0067d19e3260 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(2R)-2-hydroxy-3-methylbutoxy]-6-methoxychromen-2-one |
| SMILES (Canonical) | CC(C)C(COC1=C(C=C2C=CC(=O)OC2=C1)OC)O |
| SMILES (Isomeric) | CC(C)[C@H](COC1=C(C=C2C=CC(=O)OC2=C1)OC)O |
| InChI | InChI=1S/C15H18O5/c1-9(2)11(16)8-19-14-7-12-10(6-13(14)18-3)4-5-15(17)20-12/h4-7,9,11,16H,8H2,1-3H3/t11-/m0/s1 |
| InChI Key | MHDDNUKGRURNBF-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O5 |
| Molecular Weight | 278.30 g/mol |
| Exact Mass | 278.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 7-[(2R)-2-hydroxy-3-methylbutoxy]-6-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2r-2-hydroxy-3-methylbutoxy-6-methoxychromen-2-one.jpg "2D Structure of 7-[(2R)-2-hydroxy-3-methylbutoxy]-6-methoxychromen-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.96% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.40% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.16% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.42% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.84% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.10% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.66% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.22% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.93% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.01% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.25% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.28% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.83% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.52% | 89.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.13% | 94.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.04% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.04% | 94.45% |
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.
| Pterocaulon polystachyum |
| PubChem | 162973016 |
| LOTUS | LTS0062686 |
| wikiData | Q105163739 |