Floricolin T
| Internal ID | 943e50d6-0b48-493b-b397-7e4750682a11 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | 2,4-dimethoxy-6-(4-methoxyphenyl)-3-phenylphenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O4/c1-23-16-11-9-14(10-12-16)17-13-18(24-2)19(21(25-3)20(17)22)15-7-5-4-6-8-15/h4-13,22H,1-3H3 |
| InChI Key | RFQHDJHXYKZFDF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H20O4 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 4.70 |
| Atomic LogP (AlogP) | 4.75 |
| H-Bond Acceptor | 4 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 5 |
| CHEMBL4203398 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9895 | 98.95% |
| Caco-2 | + | 0.7979 | 79.79% |
| Blood Brain Barrier | - | 0.6750 | 67.50% |
| Human oral bioavailability | + | 0.6000 | 60.00% |
| Subcellular localzation | Mitochondria | 0.8847 | 88.47% |
| OATP2B1 inhibitior | - | 0.8559 | 85.59% |
| OATP1B1 inhibitior | + | 0.8954 | 89.54% |
| OATP1B3 inhibitior | + | 0.9386 | 93.86% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.8500 | 85.00% |
| BSEP inhibitior | + | 0.9396 | 93.96% |
| P-glycoprotein inhibitior | - | 0.4420 | 44.20% |
| P-glycoprotein substrate | - | 0.9289 | 92.89% |
| CYP3A4 substrate | + | 0.5165 | 51.65% |
| CYP2C9 substrate | - | 0.7845 | 78.45% |
| CYP2D6 substrate | + | 0.4222 | 42.22% |
| CYP3A4 inhibition | - | 0.7715 | 77.15% |
| CYP2C9 inhibition | - | 0.9415 | 94.15% |
| CYP2C19 inhibition | + | 0.5994 | 59.94% |
| CYP2D6 inhibition | - | 0.9337 | 93.37% |
| CYP1A2 inhibition | + | 0.5492 | 54.92% |
| CYP2C8 inhibition | + | 0.8618 | 86.18% |
| CYP inhibitory promiscuity | + | 0.6534 | 65.34% |
| UGT catelyzed | + | 0.7000 | 70.00% |
| Carcinogenicity (binary) | - | 0.7450 | 74.50% |
| Carcinogenicity (trinary) | Non-required | 0.5469 | 54.69% |
| Eye corrosion | - | 0.9752 | 97.52% |
| Eye irritation | + | 0.7880 | 78.80% |
| Skin irritation | - | 0.7860 | 78.60% |
| Skin corrosion | - | 0.9712 | 97.12% |
| Ames mutagenesis | - | 0.6600 | 66.00% |
| Human Ether-a-go-go-Related Gene inhibition | + | 0.6842 | 68.42% |
| Micronuclear | - | 0.5167 | 51.67% |
| Hepatotoxicity | - | 0.7000 | 70.00% |
| skin sensitisation | - | 0.9092 | 90.92% |
| Respiratory toxicity | - | 0.7444 | 74.44% |
| Reproductive toxicity | + | 0.6000 | 60.00% |
| Mitochondrial toxicity | - | 0.8500 | 85.00% |
| Nephrotoxicity | - | 0.7268 | 72.68% |
| Acute Oral Toxicity (c) | III | 0.6352 | 63.52% |
| Estrogen receptor binding | + | 0.9517 | 95.17% |
| Androgen receptor binding | + | 0.9150 | 91.50% |
| Thyroid receptor binding | + | 0.8592 | 85.92% |
| Glucocorticoid receptor binding | + | 0.8903 | 89.03% |
| Aromatase binding | + | 0.8937 | 89.37% |
| PPAR gamma | + | 0.7416 | 74.16% |
| Honey bee toxicity | - | 0.9102 | 91.02% |
| Biodegradation | - | 0.9000 | 90.00% |
| Crustacea aquatic toxicity | + | 0.7300 | 73.00% |
| Fish aquatic toxicity | + | 0.9600 | 96.00% |
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 | 96.57% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.51% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.03% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.22% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.18% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.07% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.55% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.10% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.33% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.49% | 90.00% |
| CHEMBL240 | Q12809 | HERG | 86.92% | 89.76% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.49% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.48% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.53% | 95.64% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.73% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.90% | 91.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.18% | 86.92% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.89% | 92.67% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.40% | 91.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.01% | 98.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 139590126 |
| LOTUS | LTS0053595 |
| wikiData | Q104196552 |