(4R,12R,20R,24S,26R,28R)-4,12,20,24,26,28-hexahydroxytritriacontane-2,10,18-trione
| Internal ID | 748eedcf-fde2-4b2c-a540-659949c933ec |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (4R,12R,20R,24S,26R,28R)-4,12,20,24,26,28-hexahydroxytritriacontane-2,10,18-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H62O9/c1-3-4-7-13-30(39)23-33(42)24-32(41)19-12-18-31(40)22-29(38)17-11-6-10-16-28(37)21-27(36)15-9-5-8-14-26(35)20-25(2)34/h26,28,30-33,35,37,39-42H,3-24H2,1-2H3/t26-,28-,30-,31-,32+,33-/m1/s1 |
| InChI Key | CGWFZAGABHBJQV-WAZNUCPLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H62O9 |
| Molecular Weight | 602.80 g/mol |
| Exact Mass | 602.43938355 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | 2.70 |
| 2,10,18-Tritriacontanetrione, 4,12,20,24,26,28-hexahydroxy-, (4R,12R,20R,24S,26R,28R)- |
| DTXSID101008004 |
| 4,12,20,24,26,28-hexahydroxytritriacontane-2,10,18-trione |
| 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 | 97.42% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.54% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.23% | 97.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.69% | 97.25% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.41% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.22% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.10% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.37% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.42% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.31% | 93.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.20% | 95.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.92% | 91.81% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.86% | 96.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.69% | 83.82% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.62% | 89.63% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.51% | 97.21% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.85% | 98.03% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.61% | 93.31% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.36% | 95.93% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.89% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.87% | 100.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.87% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.51% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.02% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 159224 |
| LOTUS | LTS0223010 |
| wikiData | Q83004316 |