3,3-bis(3,7-dimethylocta-2,6-dienyl)-6-hydroxy-1H-quinoline-2,4-dione
| Internal ID | 83acd8e7-d126-4c78-ae57-d9fd16f40e18 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroxyquinolones |
| IUPAC Name | 3,3-bis(3,7-dimethylocta-2,6-dienyl)-6-hydroxy-1H-quinoline-2,4-dione |
| SMILES (Canonical) | CC(=CCCC(=CCC1(C(=O)C2=C(C=CC(=C2)O)NC1=O)CC=C(C)CCC=C(C)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1(C(=O)C2=C(C=CC(=C2)O)NC1=O)CC=C(C)CCC=C(C)C)C)C |
| InChI | InChI=1S/C29H39NO3/c1-20(2)9-7-11-22(5)15-17-29(18-16-23(6)12-8-10-21(3)4)27(32)25-19-24(31)13-14-26(25)30-28(29)33/h9-10,13-16,19,31H,7-8,11-12,17-18H2,1-6H3,(H,30,33) |
| InChI Key | SHPNXUNENDVMRG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H39NO3 |
| Molecular Weight | 449.60 g/mol |
| Exact Mass | 449.29299411 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 7.90 |
| 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 | 97.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.71% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.24% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.25% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.15% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.67% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.07% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.28% | 95.56% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 87.13% | 91.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.98% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.62% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.30% | 93.40% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.79% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.64% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.79% | 89.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.18% | 93.10% |
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.
| Atalantia buxifolia |
| PubChem | 85181954 |
| LOTUS | LTS0061439 |
| wikiData | Q105253118 |