6-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-7-methoxychromen-2-one
| Internal ID | e821fbc7-edfb-42d2-a96d-933a50a03405 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-7-methoxychromen-2-one |
| SMILES (Canonical) | CC(=C)C(COC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O |
| SMILES (Isomeric) | CC(=C)[C@@H](COC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O |
| InChI | InChI=1S/C15H16O5/c1-9(2)11(16)8-19-14-6-10-4-5-15(17)20-12(10)7-13(14)18-3/h4-7,11,16H,1,8H2,2-3H3/t11-/m1/s1 |
| InChI Key | PQNRUXWYSRNGIZ-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O5 |
| Molecular Weight | 276.28 g/mol |
| Exact Mass | 276.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 6-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-7-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-2s-2-hydroxy-3-methylbut-3-enoxy-7-methoxychromen-2-one.jpg "2D Structure of 6-[(2S)-2-hydroxy-3-methylbut-3-enoxy]-7-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 | 94.92% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.85% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.87% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.79% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.91% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.22% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.55% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.59% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.25% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.00% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.99% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.59% | 90.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 83.57% | 94.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.05% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.71% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.35% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.73% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.67% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.58% | 90.71% |
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 | 163021498 |
| LOTUS | LTS0098453 |
| wikiData | Q105213307 |