Auracin Q
| Internal ID | ff49252d-3ec1-43d9-8f5f-06cd175ca349 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-methyl-3-[(2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenyl]-1H-quinolin-4-one |
| SMILES (Canonical) | CC1=C(C(=O)C2=CC=CC=C2N1)CC=C(C)C=CC=C(C)CCC=C(C)C |
| SMILES (Isomeric) | CC1=C(C(=O)C2=CC=CC=C2N1)C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C |
| InChI | InChI=1S/C25H31NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,9-10,12-16H,8,11,17H2,1-5H3,(H,26,27)/b13-9+,19-12+,20-16+ |
| InChI Key | KLUHZQUKMRCQJA-FXCPWZNDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31NO |
| Molecular Weight | 361.50 g/mol |
| Exact Mass | 361.240564612 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 7.60 |
| There are no found synonyms. |
| 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 | 96.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.03% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.96% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.14% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.99% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.20% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.17% | 94.45% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.20% | 92.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.99% | 98.59% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.89% | 88.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.00% | 91.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.89% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.33% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.32% | 93.99% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.56% | 94.62% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.31% | 92.97% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 81.99% | 95.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 81.33% | 98.21% |
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 | 49780761 |
| LOTUS | LTS0084707 |
| wikiData | Q77515257 |