[(3S,6S,7R,10E,14E,18E,22S)-2,3,6,22,23-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-10,14,18-trien-7-yl] acetate
| Internal ID | 5cf1d08c-a0b1-4e4f-aab0-132fad1363e8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [(3S,6S,7R,10E,14E,18E,22S)-2,3,6,22,23-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-10,14,18-trien-7-yl] acetate |
| SMILES (Canonical) | CC(=CCCC=C(C)CCC(C(C)(CCC(C(C)(C)O)O)O)OC(=O)C)CCC=C(C)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | C/C(=C\CC/C=C(\C)/CC[C@H]([C@](C)(CC[C@@H](C(C)(C)O)O)O)OC(=O)C)/CC/C=C(\C)/CC[C@@H](C(C)(C)O)O |
| InChI | InChI=1S/C32H58O7/c1-23(15-12-16-25(3)17-19-27(34)30(5,6)36)13-10-11-14-24(2)18-20-29(39-26(4)33)32(9,38)22-21-28(35)31(7,8)37/h13-14,16,27-29,34-38H,10-12,15,17-22H2,1-9H3/b23-13+,24-14+,25-16+/t27-,28-,29+,32-/m0/s1 |
| InChI Key | DFDPNABUMAGSPU-VZOLTVJASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H58O7 |
| Molecular Weight | 554.80 g/mol |
| Exact Mass | 554.41825418 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [(3S,6S,7R,10E,14E,18E,22S)-2,3,6,22,23-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-10,14,18-trien-7-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c46fdb80-85eb-11ee-8ad4-57bcdb628cf6.jpg "2D Structure of [(3S,6S,7R,10E,14E,18E,22S)-2,3,6,22,23-pentahydroxy-2,6,10,15,19,23-hexamethyltetracosa-10,14,18-trien-7-yl] acetate")
| 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 | 94.71% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.54% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.77% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.23% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.34% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.76% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.64% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.13% | 89.34% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.12% | 97.29% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.72% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.18% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.98% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.73% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.24% | 96.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.68% | 92.68% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.15% | 94.33% |
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.
| Entandrophragma cylindricum |
| PubChem | 163012890 |
| LOTUS | LTS0094011 |
| wikiData | Q104977777 |