Ascosteroside D
| Internal ID | 858f42d8-f362-4f8a-ac69-83c50317c3f1 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal glycosides |
| IUPAC Name | (3R,5R,10S,13R,14S,15R,17R)-15-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-4-methylidene-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H54O9/c1-18(2)8-7-9-19(3)24-16-27(37)35(32(41)42)23-11-10-21-20(4)25(13-14-33(21,5)22(23)12-15-34(24,35)6)43-31-30(40)29(39)28(38)26(17-36)44-31/h8,19,21,24-31,36-40H,4,7,9-17H2,1-3,5-6H3,(H,41,42)/t19-,21+,24-,25-,26-,27-,28-,29+,30-,31+,33+,34-,35-/m1/s1 |
| InChI Key | VODJSWBCVSFVCA-ZHPAABMZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H54O9 |
| Molecular Weight | 618.80 g/mol |
| Exact Mass | 618.37678330 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 4.10 |
| 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 | 97.51% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.68% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.54% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.35% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.81% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.65% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.88% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.64% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.96% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.77% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.50% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.20% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.39% | 89.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.30% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.57% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.92% | 99.17% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.83% | 82.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.33% | 91.24% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 82.27% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.47% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 81.46% | 97.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.35% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.21% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.09% | 94.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.80% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.75% | 92.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.20% | 93.04% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.14% | 100.00% |
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 | 139589496 |
| LOTUS | LTS0091355 |
| wikiData | Q105290125 |