Butyl 4-(12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)pentanoate
| Internal ID | f5e59165-f236-49a3-ba63-203f2c0b0fde |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | butyl 4-(12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)pentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H48O8/c1-9-10-15-40-25(38)12-11-18(2)20-16-24(37)33(8)26-21(35)17-22-30(4,5)23(36)13-14-31(22,6)27(26)28(39)29(32(20,33)7)41-19(3)34/h18,20,22-23,29,36H,9-17H2,1-8H3 |
| InChI Key | GEKHMMSACYDGPN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H48O8 |
| Molecular Weight | 572.70 g/mol |
| Exact Mass | 572.33491849 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of Butyl 4-(12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)pentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/d1f517b0-860b-11ee-a6af-b1375c5fc808.jpg "2D Structure of Butyl 4-(12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)pentanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.92% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.70% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.53% | 82.69% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.87% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.75% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.44% | 90.17% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 92.32% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.48% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.19% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.38% | 91.19% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.20% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.06% | 92.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.64% | 93.31% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.67% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.66% | 99.23% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.83% | 97.29% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.49% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.48% | 100.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 84.45% | 97.63% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.40% | 92.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.47% | 82.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.74% | 98.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.50% | 91.24% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.37% | 90.08% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.98% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.75% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.33% | 94.75% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.20% | 98.10% |
| CHEMBL238 | Q01959 | Dopamine transporter | 80.97% | 95.88% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.81% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 78112705 |
| LOTUS | LTS0122385 |
| wikiData | Q104167090 |