5-Chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-(3-methylpent-1-enyl)furo[2,3-h]isochromene-6,8-dione
| Internal ID | 4c79d21d-e3ef-4b6e-8a05-cb6f7b1965c1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 5-chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-(3-methylpent-1-enyl)furo[2,3-h]isochromene-6,8-dione |
| SMILES (Canonical) | CCC(C)C=CC1=CC2=C(C(=O)C3(C(=C(C(=O)O3)C(=O)C(=CC)C)C2=CO1)C)Cl |
| SMILES (Isomeric) | CCC(C)C=CC1=CC2=C(C(=O)C3(C(=C(C(=O)O3)C(=O)C(=CC)C)C2=CO1)C)Cl |
| InChI | InChI=1S/C23H23ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h7-12H,6H2,1-5H3 |
| InChI Key | XEBNYZYYHZZSJR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H23ClO5 |
| Molecular Weight | 414.90 g/mol |
| Exact Mass | 414.1234015 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of 5-Chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-(3-methylpent-1-enyl)furo[2,3-h]isochromene-6,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-chloro-6a-methyl-9-2-methylbut-2-enoyl-3-3-methylpent-1-enylfuro23-hisochromene-68-dione.jpg "2D Structure of 5-Chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-(3-methylpent-1-enyl)furo[2,3-h]isochromene-6,8-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.64% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.14% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.75% | 89.63% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.82% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.59% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.76% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.48% | 94.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.15% | 85.94% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.98% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.92% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.84% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.29% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.79% | 95.93% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.76% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.03% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.73% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.59% | 86.92% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162878036 |
| LOTUS | LTS0182587 |
| wikiData | Q104200887 |