Paecilomycin G
| Internal ID | 006fcf1e-a49d-4aee-b1dd-eae9c9552d5c |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (4S,8S,9S,12E)-8,9,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O6/c1-12-6-5-9-16(21)15(20)8-4-3-7-13-10-14(24-2)11-17(22)18(13)19(23)25-12/h3,7,10-12,15-16,20-22H,4-6,8-9H2,1-2H3/b7-3+/t12-,15-,16-/m0/s1 |
| InChI Key | OZWMOQDGIWAGRK-MYQOSMBCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H26O6 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.40 |
| Atomic LogP (AlogP) | 2.65 |
| H-Bond Acceptor | 6 |
| H-Bond Donor | 3 |
| Rotatable Bonds | 1 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9640 | 96.40% |
| Caco-2 | + | 0.6146 | 61.46% |
| Blood Brain Barrier | - | 0.5500 | 55.00% |
| Human oral bioavailability | - | 0.5571 | 55.71% |
| Subcellular localzation | Mitochondria | 0.6920 | 69.20% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8886 | 88.86% |
| OATP1B3 inhibitior | + | 0.9160 | 91.60% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.8821 | 88.21% |
| BSEP inhibitior | + | 0.7241 | 72.41% |
| P-glycoprotein inhibitior | - | 0.7630 | 76.30% |
| P-glycoprotein substrate | - | 0.8275 | 82.75% |
| CYP3A4 substrate | + | 0.5909 | 59.09% |
| CYP2C9 substrate | + | 0.6039 | 60.39% |
| CYP2D6 substrate | - | 0.8224 | 82.24% |
| CYP3A4 inhibition | - | 0.5641 | 56.41% |
| CYP2C9 inhibition | - | 0.9246 | 92.46% |
| CYP2C19 inhibition | - | 0.6942 | 69.42% |
| CYP2D6 inhibition | - | 0.9163 | 91.63% |
| CYP1A2 inhibition | + | 0.7775 | 77.75% |
| CYP2C8 inhibition | - | 0.7557 | 75.57% |
| CYP inhibitory promiscuity | - | 0.9610 | 96.10% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.9043 | 90.43% |
| Carcinogenicity (trinary) | Non-required | 0.6674 | 66.74% |
| Eye corrosion | - | 0.9872 | 98.72% |
| Eye irritation | - | 0.9618 | 96.18% |
| Skin irritation | - | 0.6631 | 66.31% |
| Skin corrosion | - | 0.9335 | 93.35% |
| Ames mutagenesis | - | 0.7500 | 75.00% |
| Human Ether-a-go-go-Related Gene inhibition | + | 0.7505 | 75.05% |
| Micronuclear | - | 0.8400 | 84.00% |
| Hepatotoxicity | + | 0.5455 | 54.55% |
| skin sensitisation | - | 0.7620 | 76.20% |
| Respiratory toxicity | - | 0.5000 | 50.00% |
| Reproductive toxicity | + | 0.8778 | 87.78% |
| Mitochondrial toxicity | + | 0.8250 | 82.50% |
| Nephrotoxicity | + | 0.5070 | 50.70% |
| Acute Oral Toxicity (c) | II | 0.2959 | 29.59% |
| Estrogen receptor binding | + | 0.8347 | 83.47% |
| Androgen receptor binding | + | 0.7812 | 78.12% |
| Thyroid receptor binding | - | 0.4895 | 48.95% |
| Glucocorticoid receptor binding | + | 0.7489 | 74.89% |
| Aromatase binding | + | 0.7565 | 75.65% |
| PPAR gamma | + | 0.7181 | 71.81% |
| Honey bee toxicity | - | 0.9139 | 91.39% |
| Biodegradation | - | 0.6500 | 65.00% |
| Crustacea aquatic toxicity | - | 0.5900 | 59.00% |
| Fish aquatic toxicity | + | 0.9860 | 98.60% |
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 | 98.53% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.29% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.80% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.38% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 93.36% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.79% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.52% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.50% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.65% | 92.94% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.43% | 82.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.42% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.32% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.22% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.21% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.07% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.36% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.02% | 99.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.18% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.77% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.67% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.08% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 60155826 |
| LOTUS | LTS0030878 |
| wikiData | Q77568331 |