Corossolone
| Internal ID | 90ecd8f0-1371-466d-90ff-18970e45f0bd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 4-[13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(=O)CCCCCCCC2=CC(OC2=O)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(=O)CCCCCCCC2=CC(OC2=O)C)O)O |
| InChI | InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,31-34,37-38H,3-26H2,1-2H3 |
| InChI Key | RVFWPTBBKKTQCR-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C35H62O6 |
| Molecular Weight | 578.90 g/mol |
| Exact Mass | 578.45463969 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 9.40 |
| 4-[13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one |
| 133352-33-7 |
| 3-{13-hydroxy-13-[5-(1-hydroxytridecyl)tetrahydro-2-furanyl]-8-oxotridecyl}-5-methyl-2(5h)-furanone |
| 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 | 97.28% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.53% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.29% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.78% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.27% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.89% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.72% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.25% | 97.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.02% | 85.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.94% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.59% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.40% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.00% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.67% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.12% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.79% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.75% | 93.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.85% | 94.66% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.65% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.19% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.31% | 93.31% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.07% | 95.17% |
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 glabra |
| Annona muricata |
| PubChem | 4366126 |
| LOTUS | LTS0075678 |
| wikiData | Q104392135 |