7-[(2S)-2,3-dihydroxy-3-methylbutoxy]-6,8-dimethoxychromen-2-one
| Internal ID | dc20d616-d669-4d6f-8c0e-3230e7c83bcc |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(2S)-2,3-dihydroxy-3-methylbutoxy]-6,8-dimethoxychromen-2-one |
| SMILES (Canonical) | CC(C)(C(COC1=C(C=C2C=CC(=O)OC2=C1OC)OC)O)O |
| SMILES (Isomeric) | CC(C)([C@H](COC1=C(C=C2C=CC(=O)OC2=C1OC)OC)O)O |
| InChI | InChI=1S/C16H20O7/c1-16(2,19)11(17)8-22-14-10(20-3)7-9-5-6-12(18)23-13(9)15(14)21-4/h5-7,11,17,19H,8H2,1-4H3/t11-/m0/s1 |
| InChI Key | UZRFRVJHGXPUNK-NSHDSACASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H20O7 |
| Molecular Weight | 324.32 g/mol |
| Exact Mass | 324.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 7-[(2S)-2,3-dihydroxy-3-methylbutoxy]-6,8-dimethoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2s-23-dihydroxy-3-methylbutoxy-68-dimethoxychromen-2-one.jpg "2D Structure of 7-[(2S)-2,3-dihydroxy-3-methylbutoxy]-6,8-dimethoxychromen-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.82% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.48% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.33% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.80% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.72% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.39% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.00% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.50% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.87% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.34% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.89% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.52% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.34% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.84% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.70% | 90.00% |
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.
| Pterocaulon redolens |
| PubChem | 163036628 |
| LOTUS | LTS0085381 |
| wikiData | Q105282434 |