Chryseriol
| Internal ID | a045030c-9c18-4af5-a911-d5066bf7f233 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| InChI | InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3 |
| InChI Key | SCZVLDHREVKTSH-UHFFFAOYSA-N |
| Popularity | 933 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 | 1.70 |
| 491-71-4 |
| Chryseriol |
| 3'-Methoxyapigenin |
| Luteolin 3'-methyl ether |
| 3'-O-Methylluteolin |
| 3'-O-Methyluteolin |
| 4',5,7-trihydroxy-3'-methoxyflavone |
| Chrysoriol |
| 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one |
| 5,7,4'-Trihydroxy-3'-methoxyflavone |
| 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 |
|---|---|---|---|---|---|
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
25118.9 nM |
Potency |
via CMAUP
|
| CHEMBL2231 | P04798 | Cytochrome P450 1A1 |
95 nM |
IC50 |
PMID: 20696580
|
| CHEMBL3356 | P05177 | Cytochrome P450 1A2 |
1118 nM |
IC50 |
PMID: 20696580
|
| CHEMBL4878 | Q16678 | Cytochrome P450 1B1 |
20 nM 19.7 nM |
IC50 IC50 |
PMID: 20696580
via Super-PRED |
| CHEMBL2392 | P06746 | DNA polymerase beta |
39810.7 nM |
Potency |
via CMAUP
|
| CHEMBL1293299 | Q03164 | Histone-lysine N-methyltransferase MLL |
17782.8 nM |
Potency |
via CMAUP
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
22387.2 nM |
Potency |
via CMAUP
|
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 |
3000 nM |
IC50 |
PMID: 19725578
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.12% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.00% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.95% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.60% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.34% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.55% | 86.33% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.24% | 98.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.40% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.21% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.87% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.54% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.40% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.19% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.38% | 86.92% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.36% | 93.65% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.32% | 96.12% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.24% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.17% | 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.
| PubChem | 5280666 |
| NPASS | NPC183950 |
| ChEMBL | CHEMBL214321 |
| LOTUS | LTS0095766 |
| wikiData | Q2967432 |