4-[(15Z,19Z)-11,12-dihydroxy-8-oxodotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one
| Internal ID | 925135ed-6419-4fc4-8275-2c6ca006ca4b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 4-[(15Z,19Z)-11,12-dihydroxy-8-oxodotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCC=CCCC=CCCC(C(CCC(=O)CCCCCCCC1=CC(OC1=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC/C=C\CC/C=C\CCC(C(CCC(=O)CCCCCCCC1=CC(OC1=O)C)O)O |
| InChI | InChI=1S/C37H64O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-35(39)36(40)30-29-34(38)27-24-21-19-20-23-26-33-31-32(2)42-37(33)41/h14-15,18,22,31-32,35-36,39-40H,3-13,16-17,19-21,23-30H2,1-2H3/b15-14-,22-18- |
| InChI Key | HZGVWCMMEULBPB-MPRWPCGUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H64O5 |
| Molecular Weight | 588.90 g/mol |
| Exact Mass | 588.47537514 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 10.90 |
| There are no found synonyms. |
![2D Structure of 4-[(15Z,19Z)-11,12-dihydroxy-8-oxodotriaconta-15,19-dienyl]-2-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-15z19z-1112-dihydroxy-8-oxodotriaconta-1519-dienyl-2-methyl-2h-furan-5-one.jpg "2D Structure of 4-[(15Z,19Z)-11,12-dihydroxy-8-oxodotriaconta-15,19-dienyl]-2-methyl-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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.70% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.24% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.57% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.01% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.55% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.15% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.02% | 89.63% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.63% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.87% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.16% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.67% | 93.31% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.49% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.27% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.81% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.29% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.60% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.30% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.25% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.23% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.18% | 97.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.95% | 96.37% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.96% | 92.50% |
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 jahnii |
| PubChem | 101427231 |
| LOTUS | LTS0258472 |
| wikiData | Q105035673 |