Eriodictyol chalcone
| Internal ID | 23d8032d-521a-4c81-8fed-f0d8ccaa60e9 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | (E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+ |
| InChI Key | CRBYNQCDRNZCNX-DUXPYHPUSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C15H12O6 |
| Molecular Weight | 288.25 g/mol |
| Exact Mass | 288.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.90 |
| Atomic LogP (AlogP) | 2.11 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 3 |
| 14917-41-0 |
| (E)-3-(3,4-dihydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
| 2',3,4,4',6'-Pentahydroxychalcone |
| 2',4',6',3,4-Pentahydroxychalcone |
| 3,4,2',4',6'-Pentahydroxychalcone |
| 73692-51-0 |
| Eriodictyolchalcone |
| MDQ6NJ9LSN |
| CHEMBL127409 |
| CHEBI:48967 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9623 | 96.23% |
| Caco-2 | + | 0.8869 | 88.69% |
| Blood Brain Barrier | - | 0.7000 | 70.00% |
| Human oral bioavailability | - | 0.5429 | 54.29% |
| Subcellular localzation | Mitochondria | 0.5982 | 59.82% |
| OATP2B1 inhibitior | - | 0.5442 | 54.42% |
| OATP1B1 inhibitior | + | 0.9682 | 96.82% |
| OATP1B3 inhibitior | + | 0.9757 | 97.57% |
| MATE1 inhibitior | - | 0.7000 | 70.00% |
| OCT2 inhibitior | - | 0.9588 | 95.88% |
| BSEP inhibitior | - | 0.6059 | 60.59% |
| P-glycoprotein inhibitior | - | 0.9403 | 94.03% |
| P-glycoprotein substrate | - | 0.9720 | 97.20% |
| CYP3A4 substrate | - | 0.6566 | 65.66% |
| CYP2C9 substrate | - | 0.8069 | 80.69% |
| CYP2D6 substrate | - | 0.8554 | 85.54% |
| CYP3A4 inhibition | + | 0.6787 | 67.87% |
| CYP2C9 inhibition | + | 0.5111 | 51.11% |
| CYP2C19 inhibition | - | 0.8768 | 87.68% |
| CYP2D6 inhibition | - | 0.9263 | 92.63% |
| CYP1A2 inhibition | + | 0.8928 | 89.28% |
| CYP2C8 inhibition | + | 0.5507 | 55.07% |
| CYP inhibitory promiscuity | + | 0.6625 | 66.25% |
| UGT catelyzed | + | 0.9000 | 90.00% |
| Carcinogenicity (binary) | - | 0.8023 | 80.23% |
| Carcinogenicity (trinary) | Non-required | 0.6207 | 62.07% |
| Eye corrosion | - | 0.9801 | 98.01% |
| Eye irritation | + | 0.9821 | 98.21% |
| Skin irritation | + | 0.6631 | 66.31% |
| Skin corrosion | - | 0.8127 | 81.27% |
| Ames mutagenesis | - | 0.6900 | 69.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.7205 | 72.05% |
| Micronuclear | + | 0.8200 | 82.00% |
| Hepatotoxicity | - | 0.6375 | 63.75% |
| skin sensitisation | + | 0.9334 | 93.34% |
| Respiratory toxicity | - | 0.5556 | 55.56% |
| Reproductive toxicity | + | 0.5667 | 56.67% |
| Mitochondrial toxicity | - | 0.7000 | 70.00% |
| Nephrotoxicity | - | 0.6724 | 67.24% |
| Acute Oral Toxicity (c) | III | 0.7755 | 77.55% |
| Estrogen receptor binding | + | 0.9056 | 90.56% |
| Androgen receptor binding | + | 0.9319 | 93.19% |
| Thyroid receptor binding | + | 0.6883 | 68.83% |
| Glucocorticoid receptor binding | + | 0.8835 | 88.35% |
| Aromatase binding | + | 0.8441 | 84.41% |
| PPAR gamma | + | 0.8893 | 88.93% |
| Honey bee toxicity | - | 0.9020 | 90.20% |
| Biodegradation | - | 0.9250 | 92.50% |
| Crustacea aquatic toxicity | + | 0.5800 | 58.00% |
| Fish aquatic toxicity | + | 0.9889 | 98.89% |
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 | 98.52% | 91.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 96.45% | 96.12% |
| CHEMBL3194 | P02766 | Transthyretin | 96.30% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.77% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.16% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.02% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.00% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.02% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.70% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.94% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.70% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.55% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.02% | 94.73% |
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.
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| There are no matching plants. |
| PubChem | 5461154 |
| LOTUS | LTS0260237 |
| wikiData | Q76306514 |