8-(4-Hydroxybenzyl)luteolin
| Internal ID | 12415553-dcde-4d32-8ffb-fd2208b98745 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(4-hydroxyphenyl)methyl]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H16O7/c23-13-4-1-11(2-5-13)7-14-16(25)9-18(27)21-19(28)10-20(29-22(14)21)12-3-6-15(24)17(26)8-12/h1-6,8-10,23-27H,7H2 |
| InChI Key | YEOLOLPNMHBGGS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H16O7 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 3.90 |
| Atomic LogP (AlogP) | 3.58 |
| H-Bond Acceptor | 7 |
| H-Bond Donor | 5 |
| Rotatable Bonds | 3 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.8706 | 87.06% |
| Caco-2 | - | 0.8541 | 85.41% |
| Blood Brain Barrier | - | 0.7250 | 72.50% |
| Human oral bioavailability | - | 0.8000 | 80.00% |
| Subcellular localzation | Mitochondria | 0.5666 | 56.66% |
| OATP2B1 inhibitior | + | 0.5798 | 57.98% |
| OATP1B1 inhibitior | + | 0.8603 | 86.03% |
| OATP1B3 inhibitior | + | 0.8648 | 86.48% |
| MATE1 inhibitior | - | 0.5000 | 50.00% |
| OCT2 inhibitior | - | 0.8750 | 87.50% |
| BSEP inhibitior | + | 0.7300 | 73.00% |
| P-glycoprotein inhibitior | - | 0.7191 | 71.91% |
| P-glycoprotein substrate | - | 0.7885 | 78.85% |
| CYP3A4 substrate | + | 0.5317 | 53.17% |
| CYP2C9 substrate | - | 0.6355 | 63.55% |
| CYP2D6 substrate | - | 0.8229 | 82.29% |
| CYP3A4 inhibition | - | 0.5143 | 51.43% |
| CYP2C9 inhibition | - | 0.6722 | 67.22% |
| CYP2C19 inhibition | - | 0.8544 | 85.44% |
| CYP2D6 inhibition | - | 0.9470 | 94.70% |
| CYP1A2 inhibition | + | 0.6626 | 66.26% |
| CYP2C8 inhibition | + | 0.8271 | 82.71% |
| CYP inhibitory promiscuity | + | 0.5000 | 50.00% |
| UGT catelyzed | - | 0.5000 | 50.00% |
| Carcinogenicity (binary) | - | 0.9900 | 99.00% |
| Carcinogenicity (trinary) | Non-required | 0.6995 | 69.95% |
| Eye corrosion | - | 0.9895 | 98.95% |
| Eye irritation | - | 0.4948 | 49.48% |
| Skin irritation | - | 0.5361 | 53.61% |
| Skin corrosion | - | 0.9482 | 94.82% |
| Ames mutagenesis | + | 0.5700 | 57.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4858 | 48.58% |
| Micronuclear | + | 0.8759 | 87.59% |
| Hepatotoxicity | - | 0.6500 | 65.00% |
| skin sensitisation | - | 0.7512 | 75.12% |
| Respiratory toxicity | + | 0.6222 | 62.22% |
| Reproductive toxicity | + | 0.7889 | 78.89% |
| Mitochondrial toxicity | + | 0.6375 | 63.75% |
| Nephrotoxicity | - | 0.7737 | 77.37% |
| Acute Oral Toxicity (c) | II | 0.6436 | 64.36% |
| Estrogen receptor binding | + | 0.9264 | 92.64% |
| Androgen receptor binding | + | 0.8997 | 89.97% |
| Thyroid receptor binding | + | 0.5740 | 57.40% |
| Glucocorticoid receptor binding | + | 0.8137 | 81.37% |
| Aromatase binding | + | 0.7035 | 70.35% |
| PPAR gamma | + | 0.9130 | 91.30% |
| Honey bee toxicity | - | 0.6386 | 63.86% |
| Biodegradation | - | 0.9500 | 95.00% |
| Crustacea aquatic toxicity | - | 0.5800 | 58.00% |
| Fish aquatic toxicity | + | 0.9180 | 91.80% |
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 | 97.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.32% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.78% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.18% | 94.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.31% | 98.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.41% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 90.11% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.47% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.08% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.39% | 86.92% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.89% | 95.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.71% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.86% | 99.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.69% | 85.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.58% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.62% | 95.56% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.16% | 91.38% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.95% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.01% | 86.33% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.95% | 92.29% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.78% | 95.53% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.85% | 83.57% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 80.31% | 91.73% |
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 | 101916306 |
| LOTUS | LTS0006187 |
| wikiData | Q105347338 |