Rickenyl C
| Internal ID | d66b94de-2da8-4723-a067-1e8112b37a13 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | 4,6-dimethoxy-2,5-bis(4-methoxyphenyl)benzene-1,3-diol |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=C(C(=C(C(=C2O)OC)C3=CC=C(C=C3)OC)OC)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=C(C(=C(C(=C2O)OC)C3=CC=C(C=C3)OC)OC)O |
| InChI | InChI=1S/C22H22O6/c1-25-15-9-5-13(6-10-15)17-19(23)21(27-3)18(22(28-4)20(17)24)14-7-11-16(26-2)12-8-14/h5-12,23-24H,1-4H3 |
| InChI Key | SKKUPTPBYKRTOQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H22O6 |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 4.30 |
| Atomic LogP (AlogP) | 4.47 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 6 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9628 | 96.28% |
| Caco-2 | + | 0.7218 | 72.18% |
| Blood Brain Barrier | - | 0.6750 | 67.50% |
| Human oral bioavailability | + | 0.6000 | 60.00% |
| Subcellular localzation | Mitochondria | 0.7741 | 77.41% |
| OATP2B1 inhibitior | - | 0.8557 | 85.57% |
| OATP1B1 inhibitior | + | 0.9239 | 92.39% |
| OATP1B3 inhibitior | + | 0.8269 | 82.69% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9250 | 92.50% |
| BSEP inhibitior | + | 0.9496 | 94.96% |
| P-glycoprotein inhibitior | + | 0.7430 | 74.30% |
| P-glycoprotein substrate | - | 0.9812 | 98.12% |
| CYP3A4 substrate | - | 0.6015 | 60.15% |
| CYP2C9 substrate | - | 0.7845 | 78.45% |
| CYP2D6 substrate | + | 0.4222 | 42.22% |
| CYP3A4 inhibition | - | 0.6030 | 60.30% |
| CYP2C9 inhibition | - | 0.6440 | 64.40% |
| CYP2C19 inhibition | + | 0.6196 | 61.96% |
| CYP2D6 inhibition | - | 0.8604 | 86.04% |
| CYP1A2 inhibition | + | 0.6264 | 62.64% |
| CYP2C8 inhibition | + | 0.4745 | 47.45% |
| CYP inhibitory promiscuity | + | 0.8010 | 80.10% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.7823 | 78.23% |
| Carcinogenicity (trinary) | Non-required | 0.6152 | 61.52% |
| Eye corrosion | - | 0.9749 | 97.49% |
| Eye irritation | + | 0.8143 | 81.43% |
| Skin irritation | - | 0.7893 | 78.93% |
| Skin corrosion | - | 0.8608 | 86.08% |
| Ames mutagenesis | - | 0.6200 | 62.00% |
| Human Ether-a-go-go-Related Gene inhibition | + | 0.6678 | 66.78% |
| Micronuclear | + | 0.5600 | 56.00% |
| Hepatotoxicity | - | 0.6125 | 61.25% |
| skin sensitisation | - | 0.8452 | 84.52% |
| Respiratory toxicity | - | 0.6778 | 67.78% |
| Reproductive toxicity | + | 0.5778 | 57.78% |
| Mitochondrial toxicity | - | 0.7625 | 76.25% |
| Nephrotoxicity | - | 0.7228 | 72.28% |
| Acute Oral Toxicity (c) | III | 0.6932 | 69.32% |
| Estrogen receptor binding | + | 0.9091 | 90.91% |
| Androgen receptor binding | + | 0.8064 | 80.64% |
| Thyroid receptor binding | + | 0.7761 | 77.61% |
| Glucocorticoid receptor binding | + | 0.7759 | 77.59% |
| Aromatase binding | + | 0.6699 | 66.99% |
| PPAR gamma | + | 0.7661 | 76.61% |
| Honey bee toxicity | - | 0.9790 | 97.90% |
| Biodegradation | - | 0.9000 | 90.00% |
| Crustacea aquatic toxicity | + | 0.6300 | 63.00% |
| Fish aquatic toxicity | + | 0.9525 | 95.25% |
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 |
|---|---|---|---|---|
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.19% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.53% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.90% | 95.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.36% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.24% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.75% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.38% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.88% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.99% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.92% | 94.45% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.21% | 92.68% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.17% | 86.92% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.38% | 94.97% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.80% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.12% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.06% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 85712960 |
| LOTUS | LTS0138978 |
| wikiData | Q77494102 |