Streptenol I
| Internal ID | 89df9a49-f691-4b8b-a7c5-d062966bd630 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one |
| SMILES (Canonical) | CC=CCCC(=O)CC(CCOC1(CC(CCO1)O)CCC=CC)O |
| SMILES (Isomeric) | C/C=C/CCC(=O)C[C@H](CCO[C@@]1(C[C@H](CCO1)O)CC/C=C/C)O |
| InChI | InChI=1S/C20H34O5/c1-3-5-7-9-17(21)15-18(22)10-13-24-20(12-8-6-4-2)16-19(23)11-14-25-20/h3-6,18-19,22-23H,7-16H2,1-2H3/b5-3+,6-4+/t18-,19-,20-/m0/s1 |
| InChI Key | SRMFPPPFRLKNNH-UQJYPGNUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H34O5 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 2.10 |
| Atomic LogP (AlogP) | 3.29 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 12 |
| CHEMBL4060542 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.7548 | 75.48% |
| Caco-2 | - | 0.6241 | 62.41% |
| Blood Brain Barrier | - | 0.5750 | 57.50% |
| Human oral bioavailability | - | 0.7429 | 74.29% |
| Subcellular localzation | Mitochondria | 0.8927 | 89.27% |
| OATP2B1 inhibitior | - | 0.8569 | 85.69% |
| OATP1B1 inhibitior | + | 0.8717 | 87.17% |
| OATP1B3 inhibitior | + | 0.9366 | 93.66% |
| MATE1 inhibitior | - | 0.9800 | 98.00% |
| OCT2 inhibitior | - | 0.8250 | 82.50% |
| BSEP inhibitior | + | 0.8433 | 84.33% |
| P-glycoprotein inhibitior | - | 0.7300 | 73.00% |
| P-glycoprotein substrate | - | 0.5537 | 55.37% |
| CYP3A4 substrate | + | 0.6613 | 66.13% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8367 | 83.67% |
| CYP3A4 inhibition | - | 0.8666 | 86.66% |
| CYP2C9 inhibition | - | 0.9419 | 94.19% |
| CYP2C19 inhibition | - | 0.8484 | 84.84% |
| CYP2D6 inhibition | - | 0.9283 | 92.83% |
| CYP1A2 inhibition | - | 0.9045 | 90.45% |
| CYP2C8 inhibition | - | 0.8083 | 80.83% |
| CYP inhibitory promiscuity | - | 0.9581 | 95.81% |
| UGT catelyzed | - | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.9528 | 95.28% |
| Carcinogenicity (trinary) | Non-required | 0.7313 | 73.13% |
| Eye corrosion | - | 0.9708 | 97.08% |
| Eye irritation | - | 0.9221 | 92.21% |
| Skin irritation | - | 0.8201 | 82.01% |
| Skin corrosion | - | 0.9689 | 96.89% |
| Ames mutagenesis | + | 0.5627 | 56.27% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.3828 | 38.28% |
| Micronuclear | - | 0.9500 | 95.00% |
| Hepatotoxicity | - | 0.5000 | 50.00% |
| skin sensitisation | - | 0.8671 | 86.71% |
| Respiratory toxicity | + | 0.5111 | 51.11% |
| Reproductive toxicity | - | 0.5556 | 55.56% |
| Mitochondrial toxicity | - | 0.5500 | 55.00% |
| Nephrotoxicity | + | 0.5086 | 50.86% |
| Acute Oral Toxicity (c) | III | 0.5785 | 57.85% |
| Estrogen receptor binding | + | 0.8391 | 83.91% |
| Androgen receptor binding | - | 0.6896 | 68.96% |
| Thyroid receptor binding | + | 0.6172 | 61.72% |
| Glucocorticoid receptor binding | + | 0.6151 | 61.51% |
| Aromatase binding | - | 0.5895 | 58.95% |
| PPAR gamma | + | 0.6692 | 66.92% |
| Honey bee toxicity | - | 0.8006 | 80.06% |
| Biodegradation | - | 0.5500 | 55.00% |
| Crustacea aquatic toxicity | - | 0.6800 | 68.00% |
| Fish aquatic toxicity | + | 0.7465 | 74.65% |
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 | 98.31% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.89% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.33% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.72% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.80% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.35% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.17% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.72% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.63% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.61% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.73% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.65% | 98.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.53% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.57% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.86% | 97.25% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.70% | 94.66% |
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 | 132967420 |
| LOTUS | LTS0145066 |
| wikiData | Q105259299 |