3-[(2R)-2,8,13,14,17,18-hexahydroxytriacontyl]-5-hydroxy-5-methylfuran-2-one
| Internal ID | 8ff6b63f-0eb0-43d2-9a95-bd8b202ac0b1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Annonaceous acetogenins |
| IUPAC Name | 3-[(2R)-2,8,13,14,17,18-hexahydroxytriacontyl]-5-hydroxy-5-methylfuran-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H66O9/c1-3-4-5-6-7-8-9-10-11-15-21-30(38)32(40)23-24-33(41)31(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-27-26-35(2,43)44-34(27)42/h26,28-33,36-41,43H,3-25H2,1-2H3/t28?,29-,30?,31?,32?,33?,35?/m1/s1 |
| InChI Key | KFVHJOURCDULTC-MEDZXJLGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H66O9 |
| Molecular Weight | 630.90 g/mol |
| Exact Mass | 630.47068368 g/mol |
| Topological Polar Surface Area (TPSA) | 168.00 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 3-[(2R)-2,8,13,14,17,18-hexahydroxytriacontyl]-5-hydroxy-5-methylfuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-2r-2813141718-hexahydroxytriacontyl-5-hydroxy-5-methylfuran-2-one.jpg "2D Structure of 3-[(2R)-2,8,13,14,17,18-hexahydroxytriacontyl]-5-hydroxy-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 | 98.97% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.07% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.34% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.65% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.30% | 94.73% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.15% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.69% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.14% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.91% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.77% | 95.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.99% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.44% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.44% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.41% | 98.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.91% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.81% | 90.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 102156105 |
| LOTUS | LTS0075611 |
| wikiData | Q105140574 |