Falconensin D
| Internal ID | 77888af9-347c-4aaf-a381-409cd94881d2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | [(7R,8S,8aS)-8-acetyloxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3,5-dichloro-2,4-dimethoxy-6-methylbenzoate |
| SMILES (Canonical) | CCCC1=CC2=CC(=O)C(C(C2CO1)OC(=O)C)(C)OC(=O)C3=C(C(=C(C(=C3OC)Cl)OC)Cl)C |
| SMILES (Isomeric) | CCCC1=CC2=CC(=O)[C@]([C@H]([C@@H]2CO1)OC(=O)C)(C)OC(=O)C3=C(C(=C(C(=C3OC)Cl)OC)Cl)C |
| InChI | InChI=1S/C25H28Cl2O8/c1-7-8-15-9-14-10-17(29)25(4,23(34-13(3)28)16(14)11-33-15)35-24(30)18-12(2)19(26)22(32-6)20(27)21(18)31-5/h9-10,16,23H,7-8,11H2,1-6H3/t16-,23+,25+/m1/s1 |
| InChI Key | GJJRTDHSSQUZNO-OYMMJLNRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28Cl2O8 |
| Molecular Weight | 527.40 g/mol |
| Exact Mass | 526.1161232 g/mol |
| Topological Polar Surface Area (TPSA) | 97.40 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.36% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.60% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.61% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.18% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.20% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.05% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.46% | 94.73% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.84% | 96.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.75% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.25% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.62% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.62% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.83% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.22% | 97.09% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 83.87% | 91.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.15% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.80% | 92.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.61% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.28% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.95% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.70% | 91.24% |
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 | 10369623 |
| LOTUS | LTS0132009 |
| wikiData | Q75065276 |