Tripoxyrollin
| Internal ID | 8c323113-1c57-4ccc-a0c8-6189945456b7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 4-[12-[3-[2-[3-[2-(3-decyloxiran-2-yl)ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2-methyl-2H-furan-5-one |
| SMILES (Canonical) | CCCCCCCCCCC1C(O1)CCC2C(O2)CCC3C(O3)CCCCCCCCCCCCC4=CC(OC4=O)C |
| SMILES (Isomeric) | CCCCCCCCCCC1C(O1)CCC2C(O2)CCC3C(O3)CCCCCCCCCCCCC4=CC(OC4=O)C |
| InChI | InChI=1S/C37H64O5/c1-3-4-5-6-7-13-16-19-22-31-33(40-31)24-26-35-36(42-35)27-25-34-32(41-34)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)39-37(30)38/h28-29,31-36H,3-27H2,1-2H3 |
| InChI Key | KCYRZEFVHDREPK-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C37H64O5 |
| Molecular Weight | 588.90 g/mol |
| Exact Mass | 588.47537514 g/mol |
| Topological Polar Surface Area (TPSA) | 63.90 Ų |
| XlogP | 12.20 |
| Tripoxyrollin |
| DTXSID201102758 |
| 155606-59-0 |
| 3-[12-[(2R,3S)-3-[2-[(2R,3S)-3-[2-[(2R,3S)-3-Decyl-2-oxiranyl]ethyl]-2-oxiranyl]ethyl]-2-oxiranyl]dodecyl]-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.68% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.66% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.98% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.39% | 92.08% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.04% | 97.79% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.67% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.49% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.62% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.42% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.50% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.52% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.85% | 99.17% |
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 rensoniana |
| Annona reticulata |
| Uvaria chamae |
| PubChem | 131753021 |
| LOTUS | LTS0066971 |
| wikiData | Q105139026 |