Gigantetrocinone
| Internal ID | ec2650e8-0461-4f1d-a15e-46a3a039bfd1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 3-(2-oxopropyl)-5-[5-[5-(1,4,5-trihydroxynonadecyl)oxolan-2-yl]pentyl]oxolan-2-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCC(C(CCC(C1CCC(O1)CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC(C(CCC(C1CCC(O1)CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O |
| InChI | InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32(38)22-23-33(39)34-24-21-29(41-34)18-15-14-16-19-30-26-28(25-27(2)36)35(40)42-30/h28-34,37-39H,3-26H2,1-2H3 |
| InChI Key | QVMZZZFJAWBQSP-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C35H64O7 |
| Molecular Weight | 596.90 g/mol |
| Exact Mass | 596.46520438 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 8.40 |
| 3-(2-oxopropyl)-5-{5-[5-(1,4,5-trihydroxynonadecyl)oxolan-2-yl]pentyl}oxolan-2-one |
| LMFA05000660 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.45% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.05% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.38% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.99% | 91.11% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 91.92% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.76% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.91% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.51% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.13% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.62% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.35% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.49% | 85.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.83% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.71% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.35% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.11% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.99% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.84% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.67% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.51% | 95.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.96% | 90.08% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.53% | 98.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.11% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.06% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.16% | 89.63% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.62% | 91.19% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.34% | 97.50% |
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.
| Asimina triloba |
| PubChem | 10438502 |
| LOTUS | LTS0078002 |
| wikiData | Q105228760 |