Tetradec-9-en-1-amine
| Internal ID | 9ac379e4-110c-45b8-b9d2-82b8e789e939 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Primary amines > Monoalkylamines |
| IUPAC Name | tetradec-9-en-1-amine |
| SMILES (Canonical) | CCCCC=CCCCCCCCCN |
| SMILES (Isomeric) | CCCCC=CCCCCCCCCN |
| InChI | InChI=1S/C14H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6H,2-4,7-15H2,1H3 |
| InChI Key | SYBPSIUVPQXFOU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H29N |
| Molecular Weight | 211.39 g/mol |
| Exact Mass | 211.229999929 g/mol |
| Topological Polar Surface Area (TPSA) | 26.00 Ų |
| XlogP | 5.00 |
| Atomic LogP (AlogP) | 4.42 |
| H-Bond Acceptor | 1 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 11 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9909 | 99.09% |
| Caco-2 | + | 0.9017 | 90.17% |
| Blood Brain Barrier | + | 0.9750 | 97.50% |
| Human oral bioavailability | + | 0.5857 | 58.57% |
| Subcellular localzation | Lysosomes | 0.9221 | 92.21% |
| OATP2B1 inhibitior | - | 0.8578 | 85.78% |
| OATP1B1 inhibitior | + | 0.8953 | 89.53% |
| OATP1B3 inhibitior | + | 0.9353 | 93.53% |
| MATE1 inhibitior | - | 0.9600 | 96.00% |
| OCT2 inhibitior | - | 0.5250 | 52.50% |
| BSEP inhibitior | - | 0.7103 | 71.03% |
| P-glycoprotein inhibitior | - | 0.9623 | 96.23% |
| P-glycoprotein substrate | - | 0.8851 | 88.51% |
| CYP3A4 substrate | - | 0.7133 | 71.33% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | + | 0.4092 | 40.92% |
| CYP3A4 inhibition | - | 0.9172 | 91.72% |
| CYP2C9 inhibition | - | 0.9150 | 91.50% |
| CYP2C19 inhibition | - | 0.8662 | 86.62% |
| CYP2D6 inhibition | - | 0.6826 | 68.26% |
| CYP1A2 inhibition | + | 0.6450 | 64.50% |
| CYP2C8 inhibition | - | 0.9180 | 91.80% |
| CYP inhibitory promiscuity | - | 0.7560 | 75.60% |
| UGT catelyzed | - | 0.0000 | 0.00% |
| Carcinogenicity (binary) | - | 0.6000 | 60.00% |
| Carcinogenicity (trinary) | Non-required | 0.7015 | 70.15% |
| Eye corrosion | + | 0.9781 | 97.81% |
| Eye irritation | + | 0.8195 | 81.95% |
| Skin irritation | + | 0.8756 | 87.56% |
| Skin corrosion | + | 0.9692 | 96.92% |
| Ames mutagenesis | - | 0.5000 | 50.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.3608 | 36.08% |
| Micronuclear | - | 0.9800 | 98.00% |
| Hepatotoxicity | - | 0.7191 | 71.91% |
| skin sensitisation | + | 0.6467 | 64.67% |
| Respiratory toxicity | + | 0.9222 | 92.22% |
| Reproductive toxicity | - | 0.9222 | 92.22% |
| Mitochondrial toxicity | + | 0.9375 | 93.75% |
| Nephrotoxicity | + | 0.4919 | 49.19% |
| Acute Oral Toxicity (c) | III | 0.6726 | 67.26% |
| Estrogen receptor binding | - | 0.7742 | 77.42% |
| Androgen receptor binding | - | 0.6791 | 67.91% |
| Thyroid receptor binding | + | 0.5431 | 54.31% |
| Glucocorticoid receptor binding | - | 0.7066 | 70.66% |
| Aromatase binding | - | 0.7987 | 79.87% |
| PPAR gamma | + | 0.5580 | 55.80% |
| Honey bee toxicity | - | 0.9873 | 98.73% |
| Biodegradation | + | 0.5250 | 52.50% |
| Crustacea aquatic toxicity | + | 0.7400 | 74.00% |
| Fish aquatic toxicity | + | 0.8916 | 89.16% |
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 |
|---|---|---|---|---|
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 93.13% | 87.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.03% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.20% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.92% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.32% | 95.58% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.00% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.90% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.21% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.10% | 90.17% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.10% | 93.18% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.04% | 97.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.96% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.94% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.48% | 89.63% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 81.90% | 91.38% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.45% | 85.94% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.93% | 98.03% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.08% | 86.67% |
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 | 162436 |
| LOTUS | LTS0151415 |
| wikiData | Q105263463 |