(2S)-2,7,8-trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
| Internal ID | 1ac3251f-08ab-4877-8328-9b2b15f9f4aa |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin E compounds > Tocopherols |
| IUPAC Name | (2S)-2,7,8-trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol |
| SMILES (Canonical) | CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O |
| SMILES (Isomeric) | CC1=C(C=C2CC[C@](OC2=C1C)(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O |
| InChI | InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22+,28+/m1/s1 |
| InChI Key | QUEDXNHFTDJVIY-WENCSYSZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H48O2 |
| Molecular Weight | 416.70 g/mol |
| Exact Mass | 416.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 10.30 |
| BIDD:PXR0191 |
![2D Structure of (2S)-2,7,8-trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2s-278-trimethyl-2-4s8r-4812-trimethyltridecyl-34-dihydrochromen-6-ol.jpg "2D Structure of (2S)-2,7,8-trimethyl-2-[(4S,8R)-4,8,12-trimethyltridecyl]-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 | 98.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.21% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.16% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.07% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.83% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.21% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.62% | 95.56% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 86.48% | 93.81% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.14% | 93.99% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.72% | 99.35% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.17% | 93.18% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.13% | 93.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.09% | 91.79% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.68% | 94.75% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.84% | 89.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.36% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.61% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.61% | 99.15% |
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.
| Phaseolus coccineus |
| PubChem | 45356270 |
| LOTUS | LTS0077364 |
| wikiData | Q105228118 |