3,7,11,15-Tetrahydroxy-17-[3-hydroxy-2,4,6-trimethyl-6-(2-methylbutyl)oxan-2-yl]-2,6,10,14,16-pentamethylheptadeca-4,8,12,16-tetraenoic acid
| Internal ID | 4f5ca2e3-9177-4981-9422-9b398fd04c20 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | 3,7,11,15-tetrahydroxy-17-[3-hydroxy-2,4,6-trimethyl-6-(2-methylbutyl)oxan-2-yl]-2,6,10,14,16-pentamethylheptadeca-4,8,12,16-tetraenoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H60O8/c1-11-21(2)18-34(9)19-26(7)32(40)35(10,43-34)20-25(6)31(39)24(5)14-16-29(37)22(3)12-15-28(36)23(4)13-17-30(38)27(8)33(41)42/h12-17,20-24,26-32,36-40H,11,18-19H2,1-10H3,(H,41,42) |
| InChI Key | SDGAVESVAMQGSA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H60O8 |
| Molecular Weight | 608.80 g/mol |
| Exact Mass | 608.42881887 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 3,7,11,15-Tetrahydroxy-17-[3-hydroxy-2,4,6-trimethyl-6-(2-methylbutyl)oxan-2-yl]-2,6,10,14,16-pentamethylheptadeca-4,8,12,16-tetraenoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/f58a7810-87af-11ee-9481-d7c85e0d7926.jpg "2D Structure of 3,7,11,15-Tetrahydroxy-17-[3-hydroxy-2,4,6-trimethyl-6-(2-methylbutyl)oxan-2-yl]-2,6,10,14,16-pentamethylheptadeca-4,8,12,16-tetraenoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.58% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.74% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.75% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.64% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.72% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.34% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.50% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.42% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.62% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.51% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.16% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.76% | 99.23% |
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 | 73237640 |
| LOTUS | LTS0076531 |
| wikiData | Q104197188 |