Dictyoprolenol
| Internal ID | f171e5fc-7423-4c7a-8baa-7fc795e45948 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (3S,5Z)-undeca-1,5-dien-3-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H20O/c1-3-5-6-7-8-9-10-11(12)4-2/h4,8-9,11-12H,2-3,5-7,10H2,1H3/b9-8-/t11-/m1/s1 |
| InChI Key | JYWXEBALSPBIIA-TYBABMIJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C11H20O |
| Molecular Weight | 168.28 g/mol |
| Exact Mass | 168.151415257 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 3.60 |
| Atomic LogP (AlogP) | 3.06 |
| H-Bond Acceptor | 1 |
| H-Bond Donor | 1 |
| Rotatable Bonds | 7 |
| 81703-01-7 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9932 | 99.32% |
| Caco-2 | + | 0.8404 | 84.04% |
| Blood Brain Barrier | + | 0.9250 | 92.50% |
| Human oral bioavailability | - | 0.6143 | 61.43% |
| Subcellular localzation | Plasma membrane | 0.3896 | 38.96% |
| OATP2B1 inhibitior | - | 0.8572 | 85.72% |
| OATP1B1 inhibitior | + | 0.8107 | 81.07% |
| OATP1B3 inhibitior | + | 0.8913 | 89.13% |
| MATE1 inhibitior | - | 1.0000 | 100.00% |
| OCT2 inhibitior | - | 0.8750 | 87.50% |
| BSEP inhibitior | - | 0.8673 | 86.73% |
| P-glycoprotein inhibitior | - | 0.9783 | 97.83% |
| P-glycoprotein substrate | - | 0.9380 | 93.80% |
| CYP3A4 substrate | - | 0.6318 | 63.18% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.7129 | 71.29% |
| CYP3A4 inhibition | - | 0.9416 | 94.16% |
| CYP2C9 inhibition | - | 0.9263 | 92.63% |
| CYP2C19 inhibition | - | 0.9047 | 90.47% |
| CYP2D6 inhibition | - | 0.9472 | 94.72% |
| CYP1A2 inhibition | + | 0.6776 | 67.76% |
| CYP2C8 inhibition | - | 0.8361 | 83.61% |
| CYP inhibitory promiscuity | - | 0.8395 | 83.95% |
| UGT catelyzed | + | 0.8000 | 80.00% |
| Carcinogenicity (binary) | - | 0.6100 | 61.00% |
| Carcinogenicity (trinary) | Non-required | 0.7453 | 74.53% |
| Eye corrosion | + | 0.8530 | 85.30% |
| Eye irritation | + | 0.8329 | 83.29% |
| Skin irritation | + | 0.8508 | 85.08% |
| Skin corrosion | - | 0.8800 | 88.00% |
| Ames mutagenesis | - | 0.8300 | 83.00% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.6649 | 66.49% |
| Micronuclear | - | 1.0000 | 100.00% |
| Hepatotoxicity | - | 0.5750 | 57.50% |
| skin sensitisation | + | 0.9348 | 93.48% |
| Respiratory toxicity | - | 0.8222 | 82.22% |
| Reproductive toxicity | - | 0.9483 | 94.83% |
| Mitochondrial toxicity | - | 0.8750 | 87.50% |
| Nephrotoxicity | - | 0.7844 | 78.44% |
| Acute Oral Toxicity (c) | III | 0.5408 | 54.08% |
| Estrogen receptor binding | - | 0.9140 | 91.40% |
| Androgen receptor binding | - | 0.8250 | 82.50% |
| Thyroid receptor binding | - | 0.7500 | 75.00% |
| Glucocorticoid receptor binding | - | 0.7406 | 74.06% |
| Aromatase binding | - | 0.8683 | 86.83% |
| PPAR gamma | - | 0.6242 | 62.42% |
| Honey bee toxicity | - | 0.9608 | 96.08% |
| Biodegradation | + | 0.5250 | 52.50% |
| Crustacea aquatic toxicity | - | 0.5061 | 50.61% |
| Fish aquatic toxicity | + | 0.9083 | 90.83% |
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 | 97.34% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.52% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.36% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.11% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.61% | 97.29% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 92.22% | 97.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.57% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.38% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.42% | 93.31% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.49% | 92.86% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.19% | 96.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.55% | 97.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.99% | 87.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.85% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.62% | 93.56% |
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 | 6444073 |
| LOTUS | LTS0139620 |
| wikiData | Q104375965 |