2-methyl-4-[7-[5-[(E)-1,8,9-trihydroxyhenicos-4-enyl]oxolan-2-yl]heptyl]-2H-furan-5-one
| Internal ID | 509008d1-ca81-41c8-9a3f-c64ba5506e2c |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 2-methyl-4-[7-[5-[(E)-1,8,9-trihydroxyhenicos-4-enyl]oxolan-2-yl]heptyl]-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCC(C(CCC=CCCC(C1CCC(O1)CCCCCCCC2=CC(OC2=O)C)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCC(C(CC/C=C/CCC(C1CCC(O1)CCCCCCCC2=CC(OC2=O)C)O)O)O |
| InChI | InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-14-19-24-33(38)34(39)25-20-15-16-21-26-35(40)36-28-27-32(43-36)23-18-13-11-12-17-22-31-29-30(2)42-37(31)41/h15-16,29-30,32-36,38-40H,3-14,17-28H2,1-2H3/b16-15+ |
| InChI Key | DRGQUZHGHUOBPW-FOCLMDBBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H66O6 |
| Molecular Weight | 606.90 g/mol |
| Exact Mass | 606.48593982 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 10.50 |
| There are no found synonyms. |
![2D Structure of 2-methyl-4-[7-[5-[(E)-1,8,9-trihydroxyhenicos-4-enyl]oxolan-2-yl]heptyl]-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-methyl-4-7-5-e-189-trihydroxyhenicos-4-enyloxolan-2-ylheptyl-2h-furan-5-one.jpg "2D Structure of 2-methyl-4-[7-[5-[(E)-1,8,9-trihydroxyhenicos-4-enyl]oxolan-2-yl]heptyl]-2H-furan-5-one")
| 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 | 97.05% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.74% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.72% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.63% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.72% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.01% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.16% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.58% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.37% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.31% | 95.58% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.16% | 86.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.39% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.38% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.34% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.29% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.24% | 92.08% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.01% | 90.71% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.99% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.63% | 92.86% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.37% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.13% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.05% | 97.79% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.89% | 93.31% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.67% | 96.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.22% | 90.24% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.10% | 93.18% |
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.
| Annona coriacea |
| PubChem | 102147731 |
| LOTUS | LTS0198127 |
| wikiData | Q104987403 |