Cimiracemoside L
| Internal ID | 21529ea7-d790-434b-a7e5-b5d653f86c52 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [(3S,4R,5R,6S)-6-[[(1S,3R,6S,8R,11R,12S,13R,15R,16R)-15-[(2R,4R)-4-acetyloxy-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxyoxan-3-yl] acetate |
| SMILES (Canonical) | CC(CC(C1C(O1)(C)C)OC(=O)C)C2C(=O)C(C3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)OC(=O)C)O)O)C)C)O |
| SMILES (Isomeric) | C[C@H](C[C@H]([C@H]1C(O1)(C)C)OC(=O)C)[C@H]2C(=O)[C@@H]([C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)OC(=O)C)O)O)C)C)O |
| InChI | InChI=1S/C39H60O11/c1-19(16-22(47-20(2)40)32-35(6,7)50-32)27-29(43)31(45)37(9)25-11-10-24-34(4,5)26(12-13-38(24)18-39(25,38)15-14-36(27,37)8)49-33-30(44)28(42)23(17-46-33)48-21(3)41/h19,22-28,30-33,42,44-45H,10-18H2,1-9H3/t19-,22-,23+,24+,25+,26+,27+,28+,30-,31+,32+,33+,36-,37-,38-,39+/m1/s1 |
| InChI Key | MRJOSYQMJVDQDS-LLIYAYRNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H60O11 |
| Molecular Weight | 704.90 g/mol |
| Exact Mass | 704.41356273 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 4.80 |
| Cimiracemoside L, (-)- |
| UNII-0D52WM842G |
| 0D52WM842G |
| 473554-76-6 |
| 4',23-o-Diacetylshengmanol-3-o-alpha-L-arabinopyranoside |
| 9,19-Cyclolanostan-16-one, 3-((4-O-acetyl-alpha-L-arabinopyranosyl)oxy)-23-(acetyloxy)-24,25-epoxy-15-hydroxy-, (3beta,15alpha,23R,24S)- |
| Q27236634 |
| 4',23-O-DIACETYLSHENGMANOL-3-O-.ALPHA.-L-ARABINOPYRANOSIDE |
| 9,19-CYCLOLANOSTAN-16-ONE, 3-((4-O-ACETYL-.ALPHA.-L-ARABINOPYRANOSYL)OXY)-23-(ACETYLOXY)-24,25-EPOXY-15-HYDROXY-, (3.BETA.,15.ALPHA.,23R,24S)- |
| 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 | 98.48% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.90% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.59% | 94.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.87% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.90% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.04% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.76% | 95.56% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 88.77% | 97.28% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.67% | 90.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.38% | 95.71% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.61% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.19% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.12% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.55% | 93.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.21% | 89.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.14% | 92.88% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.13% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 83.62% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.62% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.26% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.02% | 100.00% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 82.60% | 96.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.90% | 93.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.68% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.34% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.20% | 92.62% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.79% | 97.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.55% | 82.50% |
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.
| Actaea racemosa |
| PubChem | 10952624 |
| LOTUS | LTS0069855 |
| wikiData | Q27236634 |