(2S)-4-[(13R)-13-[(2S,5R)-5-[(2S,5R)-5-[(2R,6R)-6-hexyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
| Internal ID | f351ff51-83a0-412a-b961-a46cfb226aca |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (2S)-4-[(13R)-13-[(2S,5R)-5-[(2S,5R)-5-[(2R,6R)-6-hexyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCC1CCCC(O1)C2CCC(O2)C3CCC(O3)C(CCCCCCCCCCCCC4=CC(OC4=O)C)O |
| SMILES (Isomeric) | CCCCCC[C@@H]1CCC[C@@H](O1)[C@H]2CC[C@H](O2)[C@H]3CC[C@H](O3)[C@@H](CCCCCCCCCCCCC4=C[C@@H](OC4=O)C)O |
| InChI | InChI=1S/C37H64O6/c1-3-4-5-15-19-30-20-17-22-33(41-30)34-25-26-36(43-34)35-24-23-32(42-35)31(38)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)40-37(29)39/h27-28,30-36,38H,3-26H2,1-2H3/t28-,30+,31+,32-,33+,34+,35+,36-/m0/s1 |
| InChI Key | IWOYCFRIFNMRSY-YDLXLXRISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C37H64O6 |
| Molecular Weight | 604.90 g/mol |
| Exact Mass | 604.47028976 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 10.50 |
| There are no found synonyms. |
![2D Structure of (2S)-4-[(13R)-13-[(2S,5R)-5-[(2S,5R)-5-[(2R,6R)-6-hexyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/4dee4100-85f4-11ee-b719-b9ba26b58332.jpg "2D Structure of (2S)-4-[(13R)-13-[(2S,5R)-5-[(2S,5R)-5-[(2R,6R)-6-hexyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.09% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.30% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.32% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.22% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.87% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.62% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.40% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.58% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.18% | 86.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.34% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.08% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.71% | 90.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.64% | 95.58% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.56% | 93.56% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.98% | 96.37% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.72% | 93.31% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 82.89% | 90.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.59% | 99.23% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.47% | 97.29% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 82.18% | 95.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.69% | 80.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.55% | 96.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.51% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.16% | 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.
| Uvaria chamae |
| PubChem | 162884356 |
| LOTUS | LTS0053309 |
| wikiData | Q105121780 |