(E,4S,6S)-4-hydroxy-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltridec-10-en-5-one
| Internal ID | 3dbece65-c101-45dd-88a5-ea8ec8e823ba |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin E compounds |
| IUPAC Name | (E,4S,6S)-4-hydroxy-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltridec-10-en-5-one |
| SMILES (Canonical) | CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCCC(C)C(=O)C(CC(C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=CC2=C1O[C@](CC2)(C)CC/C=C(\C)/CCC[C@H](C)C(=O)[C@H](CC(C)C)O)O |
| InChI | InChI=1S/C27H42O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10,16-18,20,24,28-29H,7-9,11-15H2,1-6H3/b19-10+/t20-,24-,27+/m0/s1 |
| InChI Key | BVMBUTKOXFARAC-LANDPASJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H42O4 |
| Molecular Weight | 430.60 g/mol |
| Exact Mass | 430.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of (E,4S,6S)-4-hydroxy-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltridec-10-en-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/159c0ff0-85ca-11ee-8d95-91a0dc28dd36.jpg "2D Structure of (E,4S,6S)-4-hydroxy-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltridec-10-en-5-one")
| 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 | 99.43% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 97.61% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.23% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.03% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.91% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.46% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.22% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.46% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.56% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.90% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.10% | 86.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.08% | 93.18% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.26% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.13% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.10% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.49% | 85.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.76% | 98.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.42% | 93.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.02% | 90.00% |
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 | 163027706 |
| LOTUS | LTS0241550 |
| wikiData | Q104946633 |