Tetradec-5-en-3-ol
| Internal ID | 2110f0fa-53bd-482a-bfbb-7edd8513de29 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | tetradec-5-en-3-ol |
| SMILES (Canonical) | CCCCCCCCC=CCC(CC)O |
| SMILES (Isomeric) | CCCCCCCCC=CCC(CC)O |
| InChI | InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h11-12,14-15H,3-10,13H2,1-2H3 |
| InChI Key | BNIGZGKDQSKZPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H28O |
| Molecular Weight | 212.37 g/mol |
| Exact Mass | 212.214015512 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 5.50 |
| Atomic LogP (AlogP) | 4.45 |
| H-Bond Acceptor | 1 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 10 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9945 | 99.45% |
| Caco-2 | + | 0.9378 | 93.78% |
| Blood Brain Barrier | + | 0.9750 | 97.50% |
| Human oral bioavailability | - | 0.7000 | 70.00% |
| Subcellular localzation | Lysosomes | 0.3525 | 35.25% |
| OATP2B1 inhibitior | - | 0.8516 | 85.16% |
| OATP1B1 inhibitior | + | 0.8194 | 81.94% |
| OATP1B3 inhibitior | + | 0.9097 | 90.97% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.8750 | 87.50% |
| BSEP inhibitior | - | 0.6653 | 66.53% |
| P-glycoprotein inhibitior | - | 0.9598 | 95.98% |
| P-glycoprotein substrate | - | 0.9251 | 92.51% |
| CYP3A4 substrate | - | 0.6417 | 64.17% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.7129 | 71.29% |
| CYP3A4 inhibition | - | 0.9473 | 94.73% |
| CYP2C9 inhibition | - | 0.9379 | 93.79% |
| CYP2C19 inhibition | - | 0.9351 | 93.51% |
| CYP2D6 inhibition | - | 0.9405 | 94.05% |
| CYP1A2 inhibition | + | 0.6589 | 65.89% |
| CYP2C8 inhibition | - | 0.9069 | 90.69% |
| CYP inhibitory promiscuity | - | 0.8351 | 83.51% |
| UGT catelyzed | + | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.6100 | 61.00% |
| Carcinogenicity (trinary) | Non-required | 0.7696 | 76.96% |
| Eye corrosion | + | 0.8027 | 80.27% |
| Eye irritation | + | 0.6770 | 67.70% |
| Skin irritation | + | 0.7418 | 74.18% |
| Skin corrosion | - | 0.9542 | 95.42% |
| Ames mutagenesis | - | 0.8100 | 81.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4915 | 49.15% |
| Micronuclear | - | 1.0000 | 100.00% |
| Hepatotoxicity | - | 0.5823 | 58.23% |
| skin sensitisation | + | 0.9609 | 96.09% |
| Respiratory toxicity | - | 0.8444 | 84.44% |
| Reproductive toxicity | - | 0.9514 | 95.14% |
| Mitochondrial toxicity | - | 0.9000 | 90.00% |
| Nephrotoxicity | - | 0.7297 | 72.97% |
| Acute Oral Toxicity (c) | III | 0.8083 | 80.83% |
| Estrogen receptor binding | - | 0.6922 | 69.22% |
| Androgen receptor binding | - | 0.5987 | 59.87% |
| Thyroid receptor binding | + | 0.6642 | 66.42% |
| Glucocorticoid receptor binding | - | 0.6435 | 64.35% |
| Aromatase binding | - | 0.7884 | 78.84% |
| PPAR gamma | - | 0.5129 | 51.29% |
| Honey bee toxicity | - | 0.9850 | 98.50% |
| Biodegradation | + | 0.7250 | 72.50% |
| Crustacea aquatic toxicity | + | 0.6228 | 62.28% |
| Fish aquatic toxicity | + | 0.8257 | 82.57% |
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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 97.46% | 89.76% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 97.17% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.93% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.22% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.75% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.38% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.00% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.87% | 89.63% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.41% | 87.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.27% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.91% | 98.75% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.26% | 91.81% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.47% | 96.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.23% | 98.35% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.06% | 92.88% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.92% | 97.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.52% | 93.31% |
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 | 163187650 |
| LOTUS | LTS0090567 |
| wikiData | Q104938811 |