(2S)-2,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one
| Internal ID | 5d76add8-2c1f-40eb-98d0-29fdd1c02d0c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids |
| IUPAC Name | (2S)-2,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-3-one |
| SMILES (Canonical) | C1C2=C(C=C(C=C2OC(C1=O)(C3=CC=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | C1C2=C(C=C(C=C2O[C@](C1=O)(C3=CC=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)15(20)14(19)7-11-12(18)5-10(17)6-13(11)21-15/h1-6,16-18,20H,7H2/t15-/m0/s1 |
| InChI Key | UTPWFCOYBGZAFI-HNNXBMFYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H12O6 |
| Molecular Weight | 288.25 g/mol |
| Exact Mass | 288.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 1.30 |
| 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 | 99.29% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.42% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.21% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.65% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.47% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.47% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.12% | 99.15% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.25% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.49% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.82% | 96.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.77% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.11% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.03% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.62% | 93.99% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.58% | 85.00% |
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.
| Monarda didyma |
| PubChem | 162849938 |
| LOTUS | LTS0197227 |
| wikiData | Q105278980 |