(22S,24E)-7alpha-hydroxy-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid
| Internal ID | db0e9075-8f70-4b77-8dea-0e9ca9df4a66 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H54O9/c1-19(32(41)42)11-12-27(43-21(3)37)20(2)25-17-30(45-23(5)39)36(10)31-24(13-16-35(25,36)9)34(8)15-14-29(44-22(4)38)33(6,7)28(34)18-26(31)40/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+/t20-,25+,26+,27-,28-,29-,30-,34+,35+,36-/m0/s1 |
| InChI Key | CJPRYGHXZADIKU-AYBHNRCBSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C36H54O9 |
| Molecular Weight | 630.80 g/mol |
| Exact Mass | 630.37678330 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 5.50 |
| (22S,24E)-7alpha-hydroxy-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid |
| 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 | 98.40% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.87% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.44% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.09% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 93.06% | 89.76% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 92.68% | 95.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.42% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.87% | 97.09% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 88.79% | 92.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.15% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.10% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.78% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.71% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.43% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.19% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.47% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.70% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.26% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.22% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.21% | 97.79% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.13% | 95.89% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 83.01% | 95.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.55% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.09% | 99.17% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.01% | 89.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.98% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 80.74% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.55% | 95.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.20% | 95.50% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 80.14% | 95.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 127032136 |
| LOTUS | LTS0119904 |
| wikiData | Q104961512 |