(R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
| Internal ID | fe69de59-b16f-432b-8717-1803147850d4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 3,6a-dimethyl-9-(2-methyldecanoyl)furo[2,3-h]isochromene-6,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H30O5/c1-5-6-7-8-9-10-11-15(2)22(26)20-21-18-14-28-16(3)12-17(18)13-19(25)24(21,4)29-23(20)27/h12-15H,5-11H2,1-4H3 |
| InChI Key | HEDXHFZUZSYLJP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O5 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 4.90 |
| (R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione |
![2D Structure of (R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione](https://plantaedb.com/storage/docs/compounds/2023/11/r-36a-dimethyl-9-s-2-methyl-1-oxodecyl-6h-furo23-h-2-benzopyran-686ah-dione.jpg "2D Structure of (R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-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 |
|---|---|---|---|---|
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 99.20% | 85.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.85% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.06% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.21% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.94% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.41% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.21% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.61% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.74% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.25% | 92.86% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.03% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.00% | 95.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.60% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.51% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.33% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.63% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.60% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.43% | 96.47% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.17% | 92.29% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.04% | 97.79% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.46% | 90.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.36% | 98.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.26% | 89.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.99% | 87.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.38% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.26% | 90.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 71440528 |
| LOTUS | LTS0086591 |
| wikiData | Q104167753 |