(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxy-1-(4-hydroxy-2-methoxyphenyl)propan-1-one
| Internal ID | b9271e49-a965-478f-b9b5-a354740397b6 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxy-1-(4-hydroxy-2-methoxyphenyl)propan-1-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)O)C(=O)C(CC2=CC(=C(C=C2)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)O)C(=O)[C@@H](CC2=CC(=C(C=C2)O)O)O |
| InChI | InChI=1S/C16H16O6/c1-22-15-8-10(17)3-4-11(15)16(21)14(20)7-9-2-5-12(18)13(19)6-9/h2-6,8,14,17-20H,7H2,1H3/t14-/m1/s1 |
| InChI Key | BNOLOXUNKKENIR-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O6 |
| Molecular Weight | 304.29 g/mol |
| Exact Mass | 304.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 1.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.74% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.12% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.77% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.85% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.24% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.03% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.40% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.01% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.59% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.24% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.03% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.08% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.95% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.79% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.61% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.23% | 97.21% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.18% | 90.24% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.74% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.04% | 82.50% |
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.
| Xanthocercis zambesiaca |
| PubChem | 162933739 |
| LOTUS | LTS0206140 |
| wikiData | Q104938942 |