Lepiotaprocerin L
| Internal ID | 9d6b2096-0ab1-4329-b8ff-eeec46fc4a1a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
| IUPAC Name | [(5R,10S,13R,14R,16S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-1-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-3,11-dioxo-6,7,12,15,16,17-hexahydro-5H-cyclopenta[a]phenanthren-16-yl] acetate |
| SMILES (Canonical) | CC1=CC(OC1=O)CC(C)C2C(CC3(C2(CC(=O)C4=C3CCC5C4(C=CC(=O)C5(C)C)C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC1=C[C@H](OC1=O)C[C@@H](C)[C@H]2[C@H](C[C@@]3([C@@]2(CC(=O)C4=C3CC[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C)C)OC(=O)C |
| InChI | InChI=1S/C32H42O6/c1-17(13-20-14-18(2)28(36)38-20)26-23(37-19(3)33)16-31(7)21-9-10-24-29(4,5)25(35)11-12-30(24,6)27(21)22(34)15-32(26,31)8/h11-12,14,17,20,23-24,26H,9-10,13,15-16H2,1-8H3/t17-,20-,23+,24+,26+,30+,31+,32-/m1/s1 |
| InChI Key | FCOHRICIHWBLBL-ZBJJNELHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H42O6 |
| Molecular Weight | 522.70 g/mol |
| Exact Mass | 522.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.90% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.78% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.70% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.53% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.35% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.95% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.53% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.91% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.15% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.31% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.03% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.96% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.97% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.83% | 91.07% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.35% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.38% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 80.72% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.56% | 94.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.38% | 96.47% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.37% | 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.
| There are no matching plants. |
| PubChem | 146684197 |
| LOTUS | LTS0124288 |
| wikiData | Q104993250 |