3-(2-Hydroxy-6-methylphenyl)-6a-methyl-9-(2-methyloctanoyl)furo[2,3-h]isochromene-6,8-dione
| Internal ID | 4cb4ec4c-b460-4c14-aa8f-70446df7edc4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 3-(2-hydroxy-6-methylphenyl)-6a-methyl-9-(2-methyloctanoyl)furo[2,3-h]isochromene-6,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H30O6/c1-5-6-7-8-10-17(3)26(31)24-25-19-15-33-21(23-16(2)11-9-12-20(23)29)13-18(19)14-22(30)28(25,4)34-27(24)32/h9,11-15,17,29H,5-8,10H2,1-4H3 |
| InChI Key | BNPNEDGQFYVZTE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H30O6 |
| Molecular Weight | 462.50 g/mol |
| Exact Mass | 462.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 3-(2-Hydroxy-6-methylphenyl)-6a-methyl-9-(2-methyloctanoyl)furo[2,3-h]isochromene-6,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-hydroxy-6-methylphenyl-6a-methyl-9-2-methyloctanoylfuro23-hisochromene-68-dione.jpg "2D Structure of 3-(2-Hydroxy-6-methylphenyl)-6a-methyl-9-(2-methyloctanoyl)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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.97% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.96% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.56% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.57% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.54% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.39% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.71% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.88% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.04% | 94.80% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.83% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.77% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.78% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.69% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.44% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.20% | 89.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.70% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.78% | 90.71% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.62% | 93.18% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.11% | 93.31% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.11% | 95.50% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.73% | 91.38% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.07% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.45% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.85% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 73031689 |
| LOTUS | LTS0056063 |
| wikiData | Q103816882 |