dictyosphaeric acid B
| Internal ID | b6d8aa06-8646-4f12-a117-ca1499bae71a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | (2E,4E,6E)-7-[(1S,2R,6S,12R,13S,16S)-1,2,13-trihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadec-9-en-10-yl]hepta-2,4,6-trienoic acid |
| SMILES (Canonical) | CC1CCCC(C2(C3C(C(CC2=O)O)OC(=C3C(=O)O1)C=CC=CC=CC(=O)O)O)O |
| SMILES (Isomeric) | C[C@H]1CCC[C@H]([C@]2([C@@H]3[C@H]([C@H](CC2=O)O)OC(=C3C(=O)O1)/C=C/C=C/C=C/C(=O)O)O)O |
| InChI | InChI=1S/C22H26O9/c1-12-7-6-9-15(24)22(29)16(25)11-13(23)20-19(22)18(21(28)30-12)14(31-20)8-4-2-3-5-10-17(26)27/h2-5,8,10,12-13,15,19-20,23-24,29H,6-7,9,11H2,1H3,(H,26,27)/b3-2+,8-4+,10-5+/t12-,13-,15+,19-,20-,22-/m0/s1 |
| InChI Key | OAVFOGVWUAUSDJ-FQYKNUEKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H26O9 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 0.20 |
| Dictyophaeric acid B |
| CHEMBL463965 |
| (2E,4E,6E)-7-[(1S,2R,6S,12R,13S,16S)-1,2,13-trihydroxy-6-methyl-8,15-dioxo-7,11-dioxatricyclo[7.6.1.012,16]hexadec-9-en-10-yl]hepta-2,4,6-trienoic 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 | 95.00% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.23% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.42% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.52% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.71% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.31% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.15% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.63% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.22% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.65% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.67% | 92.94% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.28% | 83.00% |
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.
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| There are no matching plants. |
| PubChem | 21585556 |
| LOTUS | LTS0177686 |
| wikiData | Q75064125 |