2,3,5-Trimethyl-4-[3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol
| Internal ID | e282263f-5472-45d7-8f6c-9c05121fb27f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2,3,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H48O/c1-28(17-13-19-30(3)21-25-38-33(6)24-23-32(5)35(38)8)15-11-12-16-29(2)18-14-20-31(4)22-26-39-34(7)27-40(41)37(10)36(39)9/h11-27,41H,1-10H3 |
| InChI Key | AATNFCIRDPNDRP-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C40H48O |
| Molecular Weight | 544.80 g/mol |
| Exact Mass | 544.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 13.70 |
| There are no found synonyms. |
![2D Structure of 2,3,5-Trimethyl-4-[3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/c7da6420-8811-11ee-833a-51f79ebef3db.jpg "2D Structure of 2,3,5-Trimethyl-4-[3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.85% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.72% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.74% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.45% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.91% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.77% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.67% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.73% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.48% | 94.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.43% | 90.24% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.08% | 91.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.90% | 93.65% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.72% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.65% | 93.99% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.42% | 91.79% |
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.
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| There are no matching plants. |
| PubChem | 85117063 |
| LOTUS | LTS0072064 |
| wikiData | Q103815960 |