Dictyopanine B
| Internal ID | e1356d21-5959-4251-b022-3a612e0e1d76 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | (3R,3aS,4R,7S)-7-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]oxy-3-(2-formylprop-2-enyl)-3a-methyl-2-oxo-4,5,6,7-tetrahydro-3H-indene-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H32O6/c1-6-15(2)11-16(3)7-10-23(28)31-22-9-8-18(24(29)30)25(5)19(12-17(4)14-26)21(27)13-20(22)25/h7,10-11,13-15,18-19,22H,4,6,8-9,12H2,1-3,5H3,(H,29,30)/b10-7+,16-11+/t15?,18-,19-,22-,25+/m0/s1 |
| InChI Key | AFLWRLGQCCNPSX-BCTZGLOJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H32O6 |
| Molecular Weight | 428.50 g/mol |
| Exact Mass | 428.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 97.70 Ų |
| XlogP | 4.00 |
| (3R,3aS,4R,7S)-7-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]oxy-3-(2-formylprop-2-enyl)-3a-methyl-2-oxo-4,5,6,7-tetrahydro-3H-indene-4-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.80% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.46% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.49% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.35% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.67% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.59% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.35% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.18% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.22% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.87% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.46% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.65% | 89.00% |
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 | 10812456 |
| LOTUS | LTS0086478 |
| wikiData | Q75059001 |