3|A-Hydroxy-5-cholestene 3-oleate,5-Cholesten-3|A-ol 3-oleate,Cholesteryl cis-9-octadecenoate,Oleic acid cholesteryl ester
| Internal ID | 3a988aae-7445-4128-83e6-03f81e976de8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters > Cholesteryl esters |
| IUPAC Name | [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadec-9-enoate |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C |
| SMILES (Isomeric) | CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C |
| InChI | InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3 |
| InChI Key | RJECHNNFRHZQKU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C45H78O2 |
| Molecular Weight | 651.10 g/mol |
| Exact Mass | 650.60018173 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 16.60 |
| MFCD00003645 |
| SY059899 |
| FT-0623749 |
| FT-0623761 |
| 3|A-Hydroxy-5-cholestene 3-oleate,5-Cholesten-3|A-ol 3-oleate,Cholesteryl cis-9-octadecenoate,Oleic acid cholesteryl ester |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 | 98.86% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.28% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.91% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.86% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 96.89% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.88% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.87% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.87% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.58% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.39% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.14% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.22% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.58% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.38% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.07% | 92.86% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.81% | 94.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.80% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.79% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.57% | 97.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.08% | 85.31% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.05% | 93.31% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.87% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.56% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.15% | 90.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.70% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.39% | 82.69% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.07% | 96.47% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.34% | 97.50% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.43% | 99.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.38% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.18% | 86.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.93% | 91.81% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.84% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.94% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.77% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.74% | 96.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.34% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.20% | 91.19% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 80.90% | 95.92% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.76% | 95.71% |
| CHEMBL3921 | Q9Y251 | Heparanase | 80.34% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.30% | 96.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.07% | 90.08% |
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 | 78971 |
| LOTUS | LTS0135281 |
| wikiData | Q105237411 |