6-[(2R)-3-hydroxy-2-methoxy-3-methyl-butyl]-7-methoxy-chromen-2-one
| Internal ID | f1d5950c-f45d-4af3-9ef3-9f6ce51ae6cc |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6-[(2R)-3-hydroxy-2-methoxy-3-methylbutyl]-7-methoxychromen-2-one |
| SMILES (Canonical) | CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)OC)O |
| SMILES (Isomeric) | CC(C)([C@@H](CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)OC)O |
| InChI | InChI=1S/C16H20O5/c1-16(2,18)14(20-4)8-11-7-10-5-6-15(17)21-13(10)9-12(11)19-3/h5-7,9,14,18H,8H2,1-4H3/t14-/m1/s1 |
| InChI Key | BJKLRKFULSVNGY-CQSZACIVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H20O5 |
| Molecular Weight | 292.33 g/mol |
| Exact Mass | 292.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 2.00 |
| BDBM50591788 |
| 6-[(2R)-3-hydroxy-2-methoxy-3-methyl-butyl]-7-methoxy-chromen-2-one |
![2D Structure of 6-[(2R)-3-hydroxy-2-methoxy-3-methyl-butyl]-7-methoxy-chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-2r-3-hydroxy-2-methoxy-3-methyl-butyl-7-methoxy-chromen-2-one.jpg "2D Structure of 6-[(2R)-3-hydroxy-2-methoxy-3-methyl-butyl]-7-methoxy-chromen-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 | 96.45% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.78% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.45% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.62% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.61% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.13% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.10% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.76% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.63% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.91% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.52% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.27% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.09% | 85.14% |
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.
| Skimmia laureola |
| PubChem | 91511982 |
| LOTUS | LTS0220631 |
| wikiData | Q104937142 |