(2S)-4-[7-[(2R,5S)-5-[(Z,1S)-1-hydroxynonadec-4-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one
| Internal ID | 5095fd5c-8d98-4b6a-9735-e77ce36a36ff |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (2S)-4-[7-[(2R,5S)-5-[(Z,1S)-1-hydroxynonadec-4-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCC=CCCC(C1CCC(O1)CCCCCCCC2=CC(OC2=O)C)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCC/C=C\CC[C@@H]([C@@H]1CC[C@H](O1)CCCCCCCC2=C[C@@H](OC2=O)C)O |
| InChI | InChI=1S/C35H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-33(36)34-28-27-32(39-34)25-22-19-17-18-21-24-31-29-30(2)38-35(31)37/h16,20,29-30,32-34,36H,3-15,17-19,21-28H2,1-2H3/b20-16-/t30-,32+,33-,34-/m0/s1 |
| InChI Key | RLULTXPVFIKVJD-VFKLOBCQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H62O4 |
| Molecular Weight | 546.90 g/mol |
| Exact Mass | 546.46481045 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 12.30 |
| There are no found synonyms. |
![2D Structure of (2S)-4-[7-[(2R,5S)-5-[(Z,1S)-1-hydroxynonadec-4-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-4-7-2r5s-5-z1s-1-hydroxynonadec-4-enyloxolan-2-ylheptyl-2-methyl-2h-furan-5-one.jpg "2D Structure of (2S)-4-[7-[(2R,5S)-5-[(Z,1S)-1-hydroxynonadec-4-enyl]oxolan-2-yl]heptyl]-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.57% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.06% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.89% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.55% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.47% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.68% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.56% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.84% | 100.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.46% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.32% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.14% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.41% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.39% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.63% | 85.94% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.17% | 93.31% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.08% | 92.08% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.32% | 96.37% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.11% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.00% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.04% | 99.23% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.02% | 92.86% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.97% | 97.79% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.91% | 90.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.87% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.05% | 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.
| Annona coriacea |
| PubChem | 163189268 |
| LOTUS | LTS0080451 |
| wikiData | Q105240531 |