(1-Acetyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) 3-acetyloxyhexadecanoate
| Internal ID | 887e4339-fdb4-4f69-81cb-366ab3ff7d5a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | (1-acetyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) 3-acetyloxyhexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCC(CC(=O)OC1CCC2(C3CCC4C5C(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)C(=O)C)C)OC(=O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(CC(=O)OC1CCC2(C3CCC4C5C(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C)C(=O)C)C)OC(=O)C |
| InChI | InChI=1S/C47H80O5/c1-10-11-12-13-14-15-16-17-18-19-20-21-35(51-34(3)49)32-41(50)52-40-26-28-45(7)38(43(40,4)5)25-29-47(9)39(45)23-22-37-42-36(33(2)48)24-27-44(42,6)30-31-46(37,47)8/h35-40,42H,10-32H2,1-9H3 |
| InChI Key | QOUAAFGNWCICTB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H80O5 |
| Molecular Weight | 725.10 g/mol |
| Exact Mass | 724.60057565 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 15.00 |
| There are no found synonyms. |
![2D Structure of (1-Acetyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) 3-acetyloxyhexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/786c25a0-8481-11ee-baba-bd6d81a3153c.jpg "2D Structure of (1-Acetyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl) 3-acetyloxyhexadecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.52% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.17% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.62% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.18% | 92.86% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.86% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.77% | 97.29% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.21% | 82.69% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.38% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.18% | 98.03% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.45% | 96.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.43% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.21% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.79% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.28% | 97.93% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.73% | 82.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.34% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.74% | 93.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.72% | 99.35% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.60% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.77% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.34% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.00% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.77% | 94.75% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.75% | 95.36% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.46% | 97.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.34% | 96.00% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 83.84% | 92.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.74% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.24% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.07% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.26% | 96.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.09% | 93.00% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 82.06% | 89.92% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.70% | 96.47% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.48% | 95.17% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.36% | 96.25% |
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.
To see more specific details click the taxa you are interested in.
| Solidago canadensis |
| PubChem | 77535040 |
| LOTUS | LTS0159934 |
| wikiData | Q105225130 |