Streptenol G
| Internal ID | f95955be-7695-4de0-a5ba-a8802d670751 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (E,3S)-3-hydroxy-1-[(6E,8E)-1-hydroxy-5-oxodeca-6,8-dien-3-yl]oxydec-8-en-5-one |
| SMILES (Canonical) | CC=CCCC(=O)CC(CCOC(CCO)CC(=O)C=CC=CC)O |
| SMILES (Isomeric) | C/C=C/CCC(=O)C[C@H](CCOC(CCO)CC(=O)/C=C/C=C/C)O |
| InChI | InChI=1S/C20H32O5/c1-3-5-7-9-17(22)15-19(24)12-14-25-20(11-13-21)16-18(23)10-8-6-4-2/h3-6,8,10,19-21,24H,7,9,11-16H2,1-2H3/b5-3+,6-4+,10-8+/t19-,20?/m0/s1 |
| InChI Key | FHVJDKSMQGYUHA-IXDMRTLNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O5 |
| Molecular Weight | 352.50 g/mol |
| Exact Mass | 352.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 1.60 |
| Atomic LogP (AlogP) | 2.91 |
| H-Bond Acceptor | 5 |
| H-Bond Donor | 2 |
| Rotatable Bonds | 15 |
| (E,3S)-3-hydroxy-1-[(6E,8E)-1-hydroxy-5-oxodeca-6,8-dien-3-yl]oxydec-8-en-5-one |
| (E,3S)-3-hydroxy-1-((6E,8E)-1-hydroxy-5-oxodeca-6,8-dien-3-yl)oxydec-8-en-5-one |
| RefChem:185892 |
| CHEMBL4097607 |
| CHEBI:206996 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| Human Intestinal Absorption | + | 0.9059 | 90.59% |
| Caco-2 | - | 0.7000 | 70.00% |
| Blood Brain Barrier | + | 0.5750 | 57.50% |
| Human oral bioavailability | - | 0.5429 | 54.29% |
| Subcellular localzation | Mitochondria | 0.8725 | 87.25% |
| OATP2B1 inhibitior | - | 1.0000 | 100.00% |
| OATP1B1 inhibitior | + | 0.8390 | 83.90% |
| OATP1B3 inhibitior | + | 0.9530 | 95.30% |
| MATE1 inhibitior | - | 0.8800 | 88.00% |
| OCT2 inhibitior | - | 0.7000 | 70.00% |
| BSEP inhibitior | + | 0.7521 | 75.21% |
| P-glycoprotein inhibitior | - | 0.6303 | 63.03% |
| P-glycoprotein substrate | - | 0.6552 | 65.52% |
| CYP3A4 substrate | + | 0.5948 | 59.48% |
| CYP2C9 substrate | - | 1.0000 | 100.00% |
| CYP2D6 substrate | - | 0.8667 | 86.67% |
| CYP3A4 inhibition | - | 0.7068 | 70.68% |
| CYP2C9 inhibition | - | 0.8843 | 88.43% |
| CYP2C19 inhibition | - | 0.9005 | 90.05% |
| CYP2D6 inhibition | - | 0.8940 | 89.40% |
| CYP1A2 inhibition | - | 0.8139 | 81.39% |
| CYP2C8 inhibition | - | 0.8305 | 83.05% |
| CYP inhibitory promiscuity | - | 0.9340 | 93.40% |
| UGT catelyzed | - | 0.6000 | 60.00% |
| Carcinogenicity (binary) | - | 0.7300 | 73.00% |
| Carcinogenicity (trinary) | Non-required | 0.7789 | 77.89% |
| Eye corrosion | - | 0.9172 | 91.72% |
| Eye irritation | - | 0.9065 | 90.65% |
| Skin irritation | - | 0.8785 | 87.85% |
| Skin corrosion | - | 0.9863 | 98.63% |
| Ames mutagenesis | - | 0.6937 | 69.37% |
| Human Ether-a-go-go-Related Gene inhibition | - | 0.4042 | 40.42% |
| Micronuclear | - | 0.9800 | 98.00% |
| Hepatotoxicity | - | 0.5250 | 52.50% |
| skin sensitisation | - | 0.8546 | 85.46% |
| Respiratory toxicity | - | 0.5111 | 51.11% |
| Reproductive toxicity | - | 0.8962 | 89.62% |
| Mitochondrial toxicity | - | 0.8250 | 82.50% |
| Nephrotoxicity | + | 0.5191 | 51.91% |
| Acute Oral Toxicity (c) | III | 0.6306 | 63.06% |
| Estrogen receptor binding | + | 0.8517 | 85.17% |
| Androgen receptor binding | - | 0.7428 | 74.28% |
| Thyroid receptor binding | + | 0.5213 | 52.13% |
| Glucocorticoid receptor binding | - | 0.5390 | 53.90% |
| Aromatase binding | - | 0.5218 | 52.18% |
| PPAR gamma | - | 0.5868 | 58.68% |
| Honey bee toxicity | - | 0.8727 | 87.27% |
| Biodegradation | - | 0.6750 | 67.50% |
| Crustacea aquatic toxicity | - | 0.7235 | 72.35% |
| Fish aquatic toxicity | + | 0.7281 | 72.81% |
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 | 95.73% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.51% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.30% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.90% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.65% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.46% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.17% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.92% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.00% | 94.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.38% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.21% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.19% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 132967418 |
| LOTUS | LTS0172651 |
| wikiData | Q104995473 |