2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
| Internal ID | 0138c8d7-4b38-4c03-affc-72b485492730 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavan-3-ols |
| IUPAC Name | 2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)CC(=O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)CC(=O)O)O)O |
| InChI | InChI=1S/C17H16O7/c18-9-3-1-8(2-4-9)17-16(23)11(7-14(21)22)15-12(20)5-10(19)6-13(15)24-17/h1-6,11,16-20,23H,7H2,(H,21,22) |
| InChI Key | FCSOHSUDNFXNPU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O7 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-357-trihydroxy-2-4-hydroxyphenyl-34-dihydro-2h-chromen-4-ylacetic-acid.jpg "2D Structure of 2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid")
| 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 | 97.46% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.97% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.85% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.59% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.00% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.65% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 87.53% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.80% | 99.15% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.90% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.11% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.45% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.33% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.77% | 99.23% |
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.
| Selliguea feei |
| PubChem | 162945769 |
| LOTUS | LTS0027513 |
| wikiData | Q104993321 |