(2S)-7-acetyl-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | 6c6287bd-ef19-47d5-964a-337d033c6fbe |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 4-O-methylated flavonoids |
| IUPAC Name | (2S)-7-acetyl-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=O)C1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)OC)O |
| SMILES (Isomeric) | CC(=O)C1=CC(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)OC)O |
| InChI | InChI=1S/C18H16O5/c1-10(19)12-7-14(20)18-15(21)9-16(23-17(18)8-12)11-3-5-13(22-2)6-4-11/h3-8,16,20H,9H2,1-2H3/t16-/m0/s1 |
| InChI Key | KHXZCJPKCAEZQD-INIZCTEOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.30 g/mol |
| Exact Mass | 312.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| 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 | 99.27% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.69% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.28% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.83% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.84% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.30% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.69% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.10% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.82% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.74% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.69% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.66% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.42% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.84% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.78% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.78% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.77% | 96.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.52% | 94.80% |
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.
| Cryptocarya obovata |
| PubChem | 49797761 |
| LOTUS | LTS0067426 |
| wikiData | Q105141372 |