[5-[[2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl] acetate
| Internal ID | 73ccfb98-4d02-4bba-bdbe-520dd1d8112f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin E compounds |
| IUPAC Name | [5-[[2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl] acetate |
| SMILES (Canonical) | CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC3=C(C=C(C4=C3CCC(O4)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC3=C(C=C(C4=C3CCC(O4)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)OC(=O)C |
| InChI | InChI=1S/C56H80O5/c1-39(2)20-14-22-41(5)24-16-26-43(7)28-18-32-55(12)34-30-48-38-49(36-45(9)52(48)60-55)59-54-50-31-35-56(13,61-53(50)46(10)37-51(54)58-47(11)57)33-19-29-44(8)27-17-25-42(6)23-15-21-40(3)4/h20-21,24-25,28-29,36-38H,14-19,22-23,26-27,30-35H2,1-13H3 |
| InChI Key | UERLHLBIRKQLOR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C56H80O5 |
| Molecular Weight | 833.20 g/mol |
| Exact Mass | 832.60057565 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 17.20 |
| There are no found synonyms. |
![2D Structure of [5-[[2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/323cc1e0-856f-11ee-8090-fb1043f5ecbb.jpg "2D Structure of [5-[[2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl]oxy]-2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.34% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.87% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.72% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.23% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.26% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.64% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.74% | 92.08% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.39% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.21% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.90% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.86% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.80% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.55% | 91.19% |
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.
| Iryanthera grandis |
| PubChem | 162820149 |
| LOTUS | LTS0122294 |
| wikiData | Q104198121 |