1-[(2R,4R)-2,8-dihydroxy-4,7-dimethyl-3,4-dihydro-2H-chromen-5-yl]-2-methylpropan-1-one
| Internal ID | c072164d-1f84-4c5f-aec2-3e7ad6ccd474 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans |
| IUPAC Name | 1-[(2R,4R)-2,8-dihydroxy-4,7-dimethyl-3,4-dihydro-2H-chromen-5-yl]-2-methylpropan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H20O4/c1-7(2)13(17)10-5-9(4)14(18)15-12(10)8(3)6-11(16)19-15/h5,7-8,11,16,18H,6H2,1-4H3/t8-,11-/m1/s1 |
| InChI Key | QMWWLXMERZETFM-LDYMZIIASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 1-[(2R,4R)-2,8-dihydroxy-4,7-dimethyl-3,4-dihydro-2H-chromen-5-yl]-2-methylpropan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-2r4r-28-dihydroxy-47-dimethyl-34-dihydro-2h-chromen-5-yl-2-methylpropan-1-one.jpg "2D Structure of 1-[(2R,4R)-2,8-dihydroxy-4,7-dimethyl-3,4-dihydro-2H-chromen-5-yl]-2-methylpropan-1-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 | 97.98% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.76% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.20% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.90% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.87% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.71% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.75% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.52% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.35% | 97.25% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.93% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.89% | 98.95% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.37% | 90.24% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.22% | 86.00% |
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.
| Thespesia populnea |
| PubChem | 24970697 |
| LOTUS | LTS0136492 |
| wikiData | Q105224219 |