Bacillamidin G
| Internal ID | af8ab655-ce52-4753-b222-5786d33cfb24 |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids |
| IUPAC Name | 14-methylhexadecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H35NO/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H2,18,19) |
| InChI Key | CRMQYXFOUKOYJO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H35NO |
| Molecular Weight | 269.50 g/mol |
| Exact Mass | 269.271864740 g/mol |
| Topological Polar Surface Area (TPSA) | 43.10 Ų |
| XlogP | 6.70 |
| Atomic LogP (AlogP) | 5.20 |
| H-Bond Acceptor | 1 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 14 |
| 14-methylhexadecanamide |
| 15-methyl-heptadecamide |
| 14-Methylhexadecanimidate |
| RefChem:116223 |
| CHEBI:189242 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9962 | 99.62% |
| Caco-2 | + | 0.7934 | 79.34% |
| Blood Brain Barrier | + | 0.9750 | 97.50% |
| Human oral bioavailability | + | 0.5571 | 55.71% |
| Subcellular localzation | Lysosomes | 0.6038 | 60.38% |
| OATP2B1 inhibitior | - | 0.8489 | 84.89% |
| OATP1B1 inhibitior | + | 0.9597 | 95.97% |
| OATP1B3 inhibitior | + | 0.9312 | 93.12% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.9000 | 90.00% |
| BSEP inhibitior | - | 0.4808 | 48.08% |
| P-glycoprotein inhibitior | - | 0.8754 | 87.54% |
| P-glycoprotein substrate | - | 0.8390 | 83.90% |
| CYP3A4 substrate | - | 0.6681 | 66.81% |
| CYP2C9 substrate | + | 0.6248 | 62.48% |
| CYP2D6 substrate | - | 0.8558 | 85.58% |
| CYP3A4 inhibition | - | 0.9644 | 96.44% |
| CYP2C9 inhibition | - | 0.9173 | 91.73% |
| CYP2C19 inhibition | - | 0.9200 | 92.00% |
| CYP2D6 inhibition | - | 0.9172 | 91.72% |
| CYP1A2 inhibition | + | 0.5179 | 51.79% |
| CYP2C8 inhibition | - | 0.9902 | 99.02% |
| CYP inhibitory promiscuity | - | 0.8375 | 83.75% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.7000 | 70.00% |
| Carcinogenicity (trinary) | Non-required | 0.7031 | 70.31% |
| Eye corrosion | + | 0.5223 | 52.23% |
| Eye irritation | + | 0.8446 | 84.46% |
| Skin irritation | - | 0.5743 | 57.43% |
| Skin corrosion | - | 0.8367 | 83.67% |
| Ames mutagenesis | - | 0.9200 | 92.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4230 | 42.30% |
| Micronuclear | - | 0.8100 | 81.00% |
| Hepatotoxicity | + | 0.6533 | 65.33% |
| skin sensitisation | - | 0.9368 | 93.68% |
| Respiratory toxicity | - | 0.5778 | 57.78% |
| Reproductive toxicity | + | 0.5349 | 53.49% |
| Mitochondrial toxicity | - | 0.8000 | 80.00% |
| Nephrotoxicity | - | 0.7222 | 72.22% |
| Acute Oral Toxicity (c) | III | 0.7672 | 76.72% |
| Estrogen receptor binding | - | 0.7772 | 77.72% |
| Androgen receptor binding | - | 0.8893 | 88.93% |
| Thyroid receptor binding | + | 0.7410 | 74.10% |
| Glucocorticoid receptor binding | - | 0.6804 | 68.04% |
| Aromatase binding | - | 0.7909 | 79.09% |
| PPAR gamma | + | 0.6683 | 66.83% |
| Honey bee toxicity | - | 0.9890 | 98.90% |
| Biodegradation | - | 0.6250 | 62.50% |
| Crustacea aquatic toxicity | - | 0.6176 | 61.76% |
| Fish aquatic toxicity | - | 0.3854 | 38.54% |
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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.93% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.87% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.93% | 97.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.18% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.62% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.39% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.14% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.87% | 87.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.23% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.74% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.59% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.17% | 100.00% |
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 | 123957880 |
| LOTUS | LTS0167265 |
| wikiData | Q103817977 |