23-O-Acetyl shengmanol xyloside
| Internal ID | 20e95768-d6ed-40d3-882e-b7371e51302e |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [1-(3,3-dimethyloxiran-2-yl)-3-[13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-(3,4,5-trihydroxyoxan-2-yl)oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]butyl] 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)O)O)O)C)C)O |
| SMILES (Isomeric) | CC(CC(C1C(O1)(C)C)OC(=O)C)C2C(=O)C(C3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)C)C)O |
| InChI | InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3 |
| InChI Key | IHEJMZHKJYHVFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H58O10 |
| Molecular Weight | 662.80 g/mol |
| Exact Mass | 662.40299804 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 4.20 |
| FT-0775653 |
| 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 | 98.11% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.88% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.25% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.59% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.49% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.07% | 92.88% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.81% | 94.45% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.37% | 95.71% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.36% | 96.61% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.25% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.18% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.81% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.36% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.18% | 97.28% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.07% | 89.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.58% | 89.34% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.48% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.34% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.28% | 100.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.16% | 97.47% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.78% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.76% | 93.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.60% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.29% | 91.19% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.91% | 90.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.09% | 99.17% |
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 cimicifuga |
| Actaea pachypoda |
| Actaea racemosa |
| Actaea simplex |
| Actaea yunnanensis |
| PubChem | 13071462 |
| LOTUS | LTS0158983 |
| wikiData | Q105112958 |