Acremofuranone B
| Internal ID | 71600159-09e8-475a-bb39-404ecfbbc00c |
| Taxonomy | Organohalogen compounds > Aryl halides > Aryl chlorides |
| IUPAC Name | (7R,8E,12E)-17-chloro-16,19-dihydroxy-5,5,8,12,18-pentamethyl-6-oxatricyclo[13.3.1.03,7]nonadeca-1(18),2,8,12,15(19),16-hexaen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H27ClO4/c1-12-7-6-8-13(2)21-17(22(27)23(4,5)28-21)11-16-14(3)18(24)20(26)15(10-9-12)19(16)25/h8-9,11,21,25-26H,6-7,10H2,1-5H3/b12-9+,13-8+,17-11?/t21-/m1/s1 |
| InChI Key | XJTUYADTDTZVSU-BPBAMZLPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H27ClO4 |
| Molecular Weight | 402.90 g/mol |
| Exact Mass | 402.1597870 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.60 |
| 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 | 99.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.99% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.56% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.06% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.91% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.50% | 95.56% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 87.70% | 95.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.36% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.50% | 94.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.48% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.27% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.64% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.35% | 100.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.11% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.80% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.66% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.47% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.45% | 96.43% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.32% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.80% | 100.00% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 80.79% | 91.79% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.66% | 96.12% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.22% | 90.00% |
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 | 139586160 |
| LOTUS | LTS0166144 |
| wikiData | Q77500296 |