8-hydroxy-6-[(1R,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
| Internal ID | c48121b6-8baa-4f0c-984d-c2b768c2eab8 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins |
| IUPAC Name | 8-hydroxy-6-[(1R,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one |
| SMILES (Canonical) | CC(=C)C(C(C1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC)OC)O |
| SMILES (Isomeric) | CC(=C)[C@H]([C@@H](C1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC)OC)O |
| InChI | InChI=1S/C16H18O6/c1-8(2)12(18)15(20-3)10-7-9-5-6-11(17)22-14(9)13(19)16(10)21-4/h5-7,12,15,18-19H,1H2,2-4H3/t12-,15-/m1/s1 |
| InChI Key | KDUAUVWQIGLOKP-IUODEOHRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O6 |
| Molecular Weight | 306.31 g/mol |
| Exact Mass | 306.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 8-hydroxy-6-[(1R,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-hydroxy-6-1r2r-2-hydroxy-1-methoxy-3-methylbut-3-enyl-7-methoxychromen-2-one.jpg "2D Structure of 8-hydroxy-6-[(1R,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.34% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.09% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.16% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.19% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.13% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.02% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.68% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.56% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.32% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.96% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.59% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.30% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.54% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.15% | 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.
| Fatoua villosa |
| PubChem | 49831655 |
| LOTUS | LTS0040663 |
| wikiData | Q105139391 |