Daedaleanic acid F
| Internal ID | 8a01881b-f2d3-43e4-9a02-b589a713d425 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids > Cholesterols and derivatives |
| IUPAC Name | (2R)-2-[(13R,14R,16R,17R)-16-hydroxy-4,4,6,13,14-pentamethyl-3-oxo-2,15,16,17-tetrahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H42O4/c1-17(2)18(3)9-10-22(28(34)35)27-24(32)16-31(8)23-15-19(4)26-21(11-12-25(33)29(26,5)6)20(23)13-14-30(27,31)7/h13-15,17,22,24,27,32H,3,9-12,16H2,1-2,4-8H3,(H,34,35)/t22-,24-,27+,30-,31+/m1/s1 |
| InChI Key | VIQLWFNMYGPXTQ-GZDFKEDFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H42O4 |
| Molecular Weight | 478.70 g/mol |
| Exact Mass | 478.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 6.80 |
| (2R)-2-[(13R,14R,16R,17R)-16-hydroxy-4,4,6,13,14-pentamethyl-3-oxo-2,15,16,17-tetrahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| Daedaleanate F |
| (2R)-2-((11R,13R,14R,15R)-13-Hydroxy-6,6,8,11,15-pentamethyl-5-oxotetracyclo(8.7.0.0,.0,)heptadeca-1,7,9,16-tetraen-14-yl)-6-methyl-5-methylideneheptanoate |
| (2R)-2-((13R,14R,16R,17R)-16-hydroxy-4,4,6,13,14-pentamethyl-3-oxo-2,15,16,17-tetrahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acid |
| (2R)-2-[(11R,13R,14R,15R)-13-Hydroxy-6,6,8,11,15-pentamethyl-5-oxotetracyclo[8.7.0.0,.0,]heptadeca-1,7,9,16-tetraen-14-yl]-6-methyl-5-methylideneheptanoate |
| RefChem:130734 |
| CHEBI:206799 |
| 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 | 98.39% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.23% | 90.17% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.10% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.87% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.12% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.02% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.30% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.26% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.72% | 96.47% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.35% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.15% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.59% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.52% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.29% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.90% | 100.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.79% | 93.31% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.11% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.74% | 91.24% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.36% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.01% | 86.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 146682740 |
| LOTUS | LTS0238135 |
| wikiData | Q105286962 |