6-[(1R,2R)-2-hydroperoxy-1,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one
| Internal ID | 553d25c2-3442-422d-889b-6834c3bd57a7 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 6-[(1R,2R)-2-hydroperoxy-1,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one |
| SMILES (Canonical) | CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)O)O)OO)O |
| SMILES (Isomeric) | CC(C)([C@@H]([C@@H](C1=C(C=C2C(=C1)C=CC(=O)O2)O)O)OO)O |
| InChI | InChI=1S/C14H16O7/c1-14(2,18)13(21-19)12(17)8-5-7-3-4-11(16)20-10(7)6-9(8)15/h3-6,12-13,15,17-19H,1-2H3/t12-,13-/m1/s1 |
| InChI Key | RWHIGPWYYDEVKU-CHWSQXEVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16O7 |
| Molecular Weight | 296.27 g/mol |
| Exact Mass | 296.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 6-[(1R,2R)-2-hydroperoxy-1,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-1r2r-2-hydroperoxy-13-dihydroxy-3-methylbutyl-7-hydroxychromen-2-one.jpg "2D Structure of 6-[(1R,2R)-2-hydroperoxy-1,3-dihydroxy-3-methylbutyl]-7-hydroxychromen-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 | 98.07% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.41% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.29% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.53% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.30% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.81% | 99.23% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.69% | 80.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.28% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.96% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.86% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.84% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.07% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.31% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.38% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.18% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.15% | 93.56% |
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.
| Phellodendron amurense |
| PubChem | 163032880 |
| LOTUS | LTS0223889 |
| wikiData | Q105246504 |