(2R)-2,5,7,8-tetramethyl-2-[(7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
| Internal ID | 08854f6a-b95a-45d6-b34a-200387dbf00a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin E compounds > Tocotrienols |
| IUPAC Name | (2R)-2,5,7,8-tetramethyl-2-[(7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol |
| SMILES (Canonical) | CC1=C(C2=C(CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C1O)C)C |
| SMILES (Isomeric) | CC1=C(C2=C(CC[C@@](O2)(C)CCC=C(C)CC/C=C(\C)/CCC=C(C)C)C(=C1O)C)C |
| InChI | InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16?/t29-/m1/s1 |
| InChI Key | RZFHLOLGZPDCHJ-QYNCYAKKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H44O2 |
| Molecular Weight | 424.70 g/mol |
| Exact Mass | 424.334130642 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of (2R)-2,5,7,8-tetramethyl-2-[(7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2578-tetramethyl-2-7e-4812-trimethyltrideca-3711-trienyl-34-dihydrochromen-6-ol.jpg "2D Structure of (2R)-2,5,7,8-tetramethyl-2-[(7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol")
| 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 | 98.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.13% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.24% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.79% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.02% | 94.73% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.60% | 91.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.29% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.61% | 95.56% |
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 | 162909536 |
| LOTUS | LTS0077725 |
| wikiData | Q105248355 |