3-[1-(3,4-Dihydroxyphenyl)ethyl]-7-hydroxy-6,8-dimethoxychromen-2-one
| Internal ID | c9138b1f-0506-425e-974c-8322c134d687 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 3-[1-(3,4-dihydroxyphenyl)ethyl]-7-hydroxy-6,8-dimethoxychromen-2-one |
| SMILES (Canonical) | CC(C1=CC(=C(C=C1)O)O)C2=CC3=CC(=C(C(=C3OC2=O)OC)O)OC |
| SMILES (Isomeric) | CC(C1=CC(=C(C=C1)O)O)C2=CC3=CC(=C(C(=C3OC2=O)OC)O)OC |
| InChI | InChI=1S/C19H18O7/c1-9(10-4-5-13(20)14(21)7-10)12-6-11-8-15(24-2)16(22)18(25-3)17(11)26-19(12)23/h4-9,20-22H,1-3H3 |
| InChI Key | RNXIAHOWNKLVFY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O7 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 3-[1-(3,4-Dihydroxyphenyl)ethyl]-7-hydroxy-6,8-dimethoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-1-34-dihydroxyphenylethyl-7-hydroxy-68-dimethoxychromen-2-one.jpg "2D Structure of 3-[1-(3,4-Dihydroxyphenyl)ethyl]-7-hydroxy-6,8-dimethoxychromen-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 | 99.52% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.39% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.06% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.86% | 98.95% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.81% | 98.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.33% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.69% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.57% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.48% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.23% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.73% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.48% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.52% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.12% | 92.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.29% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.41% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.25% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.73% | 91.49% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.54% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.18% | 89.00% |
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.
| Millettia usaramensis |
| Sarcandra glabra |
| PubChem | 162851266 |
| LOTUS | LTS0209603 |
| wikiData | Q104960609 |