11-Keto fuidic Acid
| Internal ID | 6f1a8721-480a-419e-acfa-258d278decbc |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | (2Z)-2-[(4S,5S,8S,9S,10S,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-dioxo-2,4,5,6,7,9,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H44O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-22,25,27H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,25-,27-,29-,30-,31-/m0/s1 |
| InChI Key | XHWNFPOLQYKPKS-CNZZPSATSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C31H44O6 |
| Molecular Weight | 512.70 g/mol |
| Exact Mass | 512.31378912 g/mol |
| Topological Polar Surface Area (TPSA) | 97.70 Ų |
| XlogP | 5.00 |
| 11-KetofuidicAcid |
| CHEMBL4777516 |
| DTXSID801118979 |
| (2Z)-2-[(4S,5S,8S,9S,10S,13R,14S,16S)-16-acetoxy-4,8,10,14-tetramethyl-3,11-dioxo-2,4,5,6,7,9,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid |
| (2Z)-2-[(4S,5S,8S,9S,10S,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-dioxo-2,4,5,6,7,9,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid |
| (4alpha,8alpha,9beta,13alpha,14beta,16beta,17Z)-16-(Acetyloxy)-3,11-dioxo-29-nordammara-17(20),24-dien-21-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.97% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.88% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.24% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.00% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.39% | 94.62% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.05% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.91% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.95% | 95.89% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.78% | 89.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.75% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.23% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.97% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.57% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.35% | 98.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.95% | 93.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.33% | 98.10% |
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 | 21155584 |
| LOTUS | LTS0081139 |
| wikiData | Q105328329 |