Piericidin G
| Internal ID | 517d766f-e870-4bcb-a3b7-05783cf5f29e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[(2E,5E,7E)-10-(2,3-dimethyloxiran-2-yl)-10-methoxy-3,7,9-trimethyldeca-2,5,7-trienyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H39NO5/c1-16(13-14-21-19(4)22(28)23(29-7)25(27-21)31-9)11-10-12-17(2)15-18(3)24(30-8)26(6)20(5)32-26/h10,12-13,15,18,20,24H,11,14H2,1-9H3,(H,27,28)/b12-10+,16-13+,17-15+ |
| InChI Key | KJRINKQJNNYAGP-UBSNIDHHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H39NO5 |
| Molecular Weight | 445.60 g/mol |
| Exact Mass | 445.28282334 g/mol |
| Topological Polar Surface Area (TPSA) | 69.30 Ų |
| XlogP | 5.50 |
| Atomic LogP (AlogP) | 4.91 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 11 |
| Piericidin D1 |
| 58947-82-3 |
| 4-Pyridinol, 2-(10-(2,3-dimethyloxiranyl)-10-methoxy-3,7,9-trimethyl-2,5,7-decatrienyl)-5,6-dimethoxy-3-methyl- |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9868 | 98.68% |
| Caco-2 | + | 0.5103 | 51.03% |
| Blood Brain Barrier | + | 0.6500 | 65.00% |
| Human oral bioavailability | - | 0.5143 | 51.43% |
| Subcellular localzation | Mitochondria | 0.4728 | 47.28% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8653 | 86.53% |
| OATP1B3 inhibitior | + | 0.9422 | 94.22% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.7750 | 77.50% |
| BSEP inhibitior | + | 0.9496 | 94.96% |
| P-glycoprotein inhibitior | + | 0.8166 | 81.66% |
| P-glycoprotein substrate | - | 0.5438 | 54.38% |
| CYP3A4 substrate | + | 0.6645 | 66.45% |
| CYP2C9 substrate | + | 0.5907 | 59.07% |
| CYP2D6 substrate | - | 0.8254 | 82.54% |
| CYP3A4 inhibition | - | 0.7907 | 79.07% |
| CYP2C9 inhibition | - | 0.8007 | 80.07% |
| CYP2C19 inhibition | - | 0.6696 | 66.96% |
| CYP2D6 inhibition | - | 0.8813 | 88.13% |
| CYP1A2 inhibition | - | 0.5670 | 56.70% |
| CYP2C8 inhibition | - | 0.5673 | 56.73% |
| CYP inhibitory promiscuity | - | 0.5759 | 57.59% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.8500 | 85.00% |
| Carcinogenicity (trinary) | Non-required | 0.5847 | 58.47% |
| Eye corrosion | - | 0.9852 | 98.52% |
| Eye irritation | - | 0.9569 | 95.69% |
| Skin irritation | - | 0.7593 | 75.93% |
| Skin corrosion | - | 0.9367 | 93.67% |
| Ames mutagenesis | + | 0.5409 | 54.09% |
| Human Ether-a-go-go-Related Gene inhibition | + | 0.8078 | 80.78% |
| Micronuclear | + | 0.5800 | 58.00% |
| Hepatotoxicity | - | 0.5052 | 50.52% |
| skin sensitisation | - | 0.7990 | 79.90% |
| Respiratory toxicity | + | 0.7667 | 76.67% |
| Reproductive toxicity | + | 0.7444 | 74.44% |
| Mitochondrial toxicity | + | 0.6500 | 65.00% |
| Nephrotoxicity | - | 0.7400 | 74.00% |
| Acute Oral Toxicity (c) | III | 0.5306 | 53.06% |
| Estrogen receptor binding | + | 0.7656 | 76.56% |
| Androgen receptor binding | + | 0.6729 | 67.29% |
| Thyroid receptor binding | + | 0.7297 | 72.97% |
| Glucocorticoid receptor binding | + | 0.7671 | 76.71% |
| Aromatase binding | + | 0.6674 | 66.74% |
| PPAR gamma | + | 0.8186 | 81.86% |
| Honey bee toxicity | - | 0.7882 | 78.82% |
| Biodegradation | - | 0.8250 | 82.50% |
| Crustacea aquatic toxicity | - | 0.5900 | 59.00% |
| Fish aquatic toxicity | + | 0.7341 | 73.41% |
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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.85% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.23% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.10% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.05% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.37% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.01% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.80% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.59% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.53% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.32% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.05% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.48% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.69% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.70% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.67% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.65% | 97.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.67% | 88.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.46% | 92.97% |
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 | 6443039 |
| LOTUS | LTS0060798 |
| wikiData | Q105141926 |