(2,3,22,23-Tetrahydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraenyl) acetate
| Internal ID | c2bebf2a-1e85-48ae-ba15-6622ff8cf7de |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2,3,22,23-tetrahydroxy-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18-tetraenyl) acetate |
| SMILES (Canonical) | CC(=CCCC=C(C)CCC=C(C)CCC(C(C)(COC(=O)C)O)O)CCC=C(C)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | CC(=CCCC=C(C)CCC=C(C)CCC(C(C)(COC(=O)C)O)O)CCC=C(C)CCC(C(C)(C)O)O |
| InChI | InChI=1S/C32H56O6/c1-24(15-11-17-26(3)19-21-29(34)31(6,7)36)13-9-10-14-25(2)16-12-18-27(4)20-22-30(35)32(8,37)23-38-28(5)33/h13-14,17-18,29-30,34-37H,9-12,15-16,19-23H2,1-8H3 |
| InChI Key | NEHIFLHZEGCZTI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H56O6 |
| Molecular Weight | 536.80 g/mol |
| Exact Mass | 536.40768950 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
| 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 | 95.20% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.12% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.02% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.43% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.66% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.17% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.75% | 91.11% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.90% | 89.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.49% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.37% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.85% | 89.34% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.48% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.36% | 94.33% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.22% | 92.68% |
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.
| Ekebergia capensis |
| PubChem | 74319233 |
| LOTUS | LTS0217517 |
| wikiData | Q105177928 |