3-hexanoyl-9a-methyl-6-prop-1-enyl-3a,4-dihydro-3H-furo[3,2-g]isoquinoline-2,9-dione
| Internal ID | 558b3e6e-ba72-4008-8c92-5ed7ec31b780 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones |
| IUPAC Name | 3-hexanoyl-9a-methyl-6-prop-1-enyl-3a,4-dihydro-3H-furo[3,2-g]isoquinoline-2,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H25NO4/c1-4-6-7-9-17(23)18-16-11-13-10-14(8-5-2)22-12-15(13)19(24)21(16,3)26-20(18)25/h5,8,10,12,16,18H,4,6-7,9,11H2,1-3H3 |
| InChI Key | XZLAVLLIHLWTLQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25NO4 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 73.30 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 3-hexanoyl-9a-methyl-6-prop-1-enyl-3a,4-dihydro-3H-furo[3,2-g]isoquinoline-2,9-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-hexanoyl-9a-methyl-6-prop-1-enyl-3a4-dihydro-3h-furo32-gisoquinoline-29-dione.jpg "2D Structure of 3-hexanoyl-9a-methyl-6-prop-1-enyl-3a,4-dihydro-3H-furo[3,2-g]isoquinoline-2,9-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.07% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.42% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.28% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.33% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.08% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.53% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.37% | 89.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.48% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.01% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.69% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.32% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.52% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.30% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.09% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.08% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.61% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.36% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.16% | 92.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.43% | 89.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.35% | 100.00% |
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 | 163084040 |
| LOTUS | LTS0075198 |
| wikiData | Q104201484 |