Antroquinonol U
| Internal ID | 7de61f35-1c4f-40f3-9017-9cb185f4713d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4S)-12-[(1R,2R,6R)-2-acetyloxy-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H38O8/c1-15(9-8-10-16(2)13-20(28)14-17(3)26(30)31)11-12-21-18(4)22(29)24(32-6)25(33-7)23(21)34-19(5)27/h10-11,14,18,20-21,23,28H,8-9,12-13H2,1-7H3,(H,30,31)/t18-,20+,21-,23-/m1/s1 |
| InChI Key | NWDZWEAPEOCWDK-ZVXPMLRVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H38O8 |
| Molecular Weight | 478.60 g/mol |
| Exact Mass | 478.25666817 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 4.00 |
| (4S)-12-[(1R,2R,6R)-2-acetyloxy-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoic acid |
| (4S)-12-((1R,2R,6R)-2-(Acetyloxy)-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoate |
| (4S)-12-((1R,2R,6R)-2-acetyloxy-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl)-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoic acid |
| (4S)-12-[(1R,2R,6R)-2-(Acetyloxy)-3,4-dimethoxy-6-methyl-5-oxocyclohex-3-en-1-yl]-4-hydroxy-2,6,10-trimethyldodeca-2,6,10-trienoate |
| RefChem:113269 |
| CHEBI:208175 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.84% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.69% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.48% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.42% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.97% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.00% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.40% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.85% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.64% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.27% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.18% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.47% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.55% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.84% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.79% | 97.25% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139589784 |
| LOTUS | LTS0212643 |
| wikiData | Q105186553 |