(+)-(17R)-apralactone A
| Internal ID | 48cbc2fb-d301-407e-af00-b328f3e723da |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | (9R,13E)-3,15-dihydroxy-9-methyl-8,19-dioxatricyclo[13.3.1.05,18]nonadeca-1,3,5(18),13-tetraene-7,17-dione |
| SMILES (Canonical) | CC1CCCC=CC2(CC(=O)C3=C(CC(=O)O1)C=C(C=C3O2)O)O |
| SMILES (Isomeric) | C[C@@H]1CCC/C=C/C2(CC(=O)C3=C(CC(=O)O1)C=C(C=C3O2)O)O |
| InChI | InChI=1S/C18H20O6/c1-11-5-3-2-4-6-18(22)10-14(20)17-12(8-16(21)23-11)7-13(19)9-15(17)24-18/h4,6-7,9,11,19,22H,2-3,5,8,10H2,1H3/b6-4+/t11-,18?/m1/s1 |
| InChI Key | NXIOMVOFGLOKLL-FXEKUBAXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H20O6 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.18% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.39% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.55% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.37% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.08% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.41% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.30% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.11% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.37% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.09% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.77% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.49% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.48% | 96.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.33% | 85.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.53% | 99.23% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.93% | 86.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.89% | 94.80% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.45% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.85% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.74% | 86.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.58% | 96.38% |
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 | 25147259 |
| LOTUS | LTS0199697 |
| wikiData | Q105187191 |