(6aR)-3-[(4R)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-6a-methyl-9-[(2R)-2-methyloctanoyl]furo[2,3-h]isochromene-6,8-dione
| Internal ID | 21960976-98ee-46b3-abe1-3c1b3e89948b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (6aR)-3-[(4R)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-6a-methyl-9-[(2R)-2-methyloctanoyl]furo[2,3-h]isochromene-6,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H32O7/c1-5-6-7-8-9-15(2)26(32)24-25-19-14-34-21(23-16(3)10-18(29)13-20(23)30)11-17(19)12-22(31)28(25,4)35-27(24)33/h11-12,14-15,18,29H,5-10,13H2,1-4H3/t15-,18-,28+/m1/s1 |
| InChI Key | LFNOEQKIIMCRRH-YGOAZIPFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H32O7 |
| Molecular Weight | 480.50 g/mol |
| Exact Mass | 480.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of (6aR)-3-[(4R)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-6a-methyl-9-[(2R)-2-methyloctanoyl]furo[2,3-h]isochromene-6,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/641fb900-8569-11ee-b69b-df8067c57e88.jpg "2D Structure of (6aR)-3-[(4R)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-6a-methyl-9-[(2R)-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 | 98.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.05% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.94% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.12% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.30% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.86% | 93.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.23% | 94.80% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.14% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.26% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.20% | 97.79% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.72% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.24% | 89.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.59% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.56% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.88% | 99.23% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.52% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.49% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.36% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.07% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.57% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.64% | 97.29% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.54% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.51% | 97.25% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.96% | 92.86% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.71% | 98.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.83% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 81.20% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.27% | 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 | 162951413 |
| LOTUS | LTS0076032 |
| wikiData | Q105151091 |