[17-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] tetradecanoate
| Internal ID | a40ff643-d2fe-4ce8-a3b4-61a3165ca39f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Ecdysteroids |
| IUPAC Name | [17-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] tetradecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H74O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-38(44)47-31-22-24-42(7)35-23-25-41(6)33(30(5)40(46)39(45)29(4)28(2)3)20-21-34(41)32(35)27-37(43)36(42)26-31/h28-36,39-40,45-46H,8-27H2,1-7H3 |
| InChI Key | QHXCSFDQHIRPOP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H74O5 |
| Molecular Weight | 659.00 g/mol |
| Exact Mass | 658.55362546 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 12.50 |
| There are no found synonyms. |
![2D Structure of [17-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] tetradecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/04d33b00-8459-11ee-88e4-5948856b571a.jpg "2D Structure of [17-(3,4-Dihydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] tetradecanoate")
| 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 | 99.27% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.16% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 97.89% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.81% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.29% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.13% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.19% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.68% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.73% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.87% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.36% | 97.29% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 88.85% | 92.12% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.18% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.82% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.41% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.40% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.08% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.88% | 85.94% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.88% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.87% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.34% | 90.71% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.78% | 95.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.74% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.71% | 92.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.66% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.35% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.26% | 82.69% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.22% | 96.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.18% | 91.19% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.49% | 85.31% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.73% | 97.14% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.50% | 95.36% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.22% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.18% | 89.63% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.03% | 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.
To see more specific details click the taxa you are interested in.
| Lilium longiflorum |
| PubChem | 162947257 |
| LOTUS | LTS0105788 |
| wikiData | Q105221189 |