Tectorigenin
| Internal ID | bad24d38-ccf0-4b5a-8c5a-966589be6bd0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 |
| InChI Key | OBBCRPUNCUPUOS-UHFFFAOYSA-N |
| Popularity | 140 references in papers |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.26 g/mol |
| Exact Mass | 300.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.60 |
| 548-77-6 |
| Tectorigenine |
| 4',5,7-Trihydroxy-6-methoxyisoflavone |
| 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one |
| K 251T |
| 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one |
| 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy- |
| 5,7,4'-Trihydroxy-6-methoxyisoflavone |
| 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one |
| BRN 0305601 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 |
3300 nM |
IC50 |
PMID: 16441060
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.30% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.81% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.34% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.35% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.14% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.77% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.75% | 85.14% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.50% | 98.35% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.83% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.53% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 85.58% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.07% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.54% | 91.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.00% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.20% | 90.71% |
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.
| PubChem | 5281811 |
| NPASS | NPC269451 |
| ChEMBL | CHEMBL242740 |
| LOTUS | LTS0250238 |
| wikiData | Q3517006 |