(5R)-5-hydroxy-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-9-oxotridecyl]-5-methylfuran-2-one
| Internal ID | d11b4ee1-b78b-4263-9a4c-4b8a92842260 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | (5R)-5-hydroxy-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-9-oxotridecyl]-5-methylfuran-2-one |
| SMILES (Canonical) | CCCCCCCCCCCCC(C1CCC(O1)C(CCCC(=O)CCCCCCCCC2=CC(OC2=O)(C)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC(=O)CCCCCCCCC2=C[C@](OC2=O)(C)O)O)O |
| InChI | InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-15-18-23-30(37)32-25-26-33(41-32)31(38)24-19-22-29(36)21-17-14-12-11-13-16-20-28-27-35(2,40)42-34(28)39/h27,30-33,37-38,40H,3-26H2,1-2H3/t30-,31-,32-,33-,35-/m1/s1 |
| InChI Key | VDHXFGANCMGBFE-MRKLFBNESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H62O7 |
| Molecular Weight | 594.90 g/mol |
| Exact Mass | 594.44955431 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
![2D Structure of (5R)-5-hydroxy-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-9-oxotridecyl]-5-methylfuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/efd06a40-859b-11ee-802b-a34fbd97dbe6.jpg "2D Structure of (5R)-5-hydroxy-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-9-oxotridecyl]-5-methylfuran-2-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 | 98.74% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.57% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.90% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.36% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.04% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.26% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.98% | 99.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.63% | 82.69% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.53% | 85.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.38% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.78% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.66% | 92.86% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.03% | 97.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.97% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.84% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.84% | 94.66% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.09% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.86% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.42% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.19% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.15% | 95.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.84% | 92.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.73% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.94% | 94.73% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.80% | 98.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.04% | 93.31% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.30% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.24% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.02% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162879121 |
| LOTUS | LTS0075207 |
| wikiData | Q105284177 |