3-((2E)-3,7-Dimethylocta-2,6-dienoxy)-1-hydroxy-4-methoxy-10-methylacridin-9-one
| Internal ID | 4d8e533b-68ed-47b6-897f-e9d56cacd7df |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hydroxy-4-methoxy-10-methylacridin-9-one |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2C)OC)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/COC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2C)OC)/C)C |
| InChI | InChI=1S/C25H29NO4/c1-16(2)9-8-10-17(3)13-14-30-21-15-20(27)22-23(25(21)29-5)26(4)19-12-7-6-11-18(19)24(22)28/h6-7,9,11-13,15,27H,8,10,14H2,1-5H3/b17-13+ |
| InChI Key | LXGDEEWLLLZIOV-GHRIWEEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H29NO4 |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.20965841 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 6.60 |
| 3-((2E)-3,7-Dimethylocta-2,6-dienoxy)-1-hydroxy-4-methoxy-10-methylacridin-9-one |
| 96935-30-7 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.70% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.09% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.06% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.12% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.76% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.20% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.14% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.11% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.30% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.29% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.04% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.75% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.37% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.75% | 93.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.54% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.47% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.09% | 93.65% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.25% | 95.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.23% | 95.83% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.54% | 80.78% |
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.
| Sarcomelicope leiocarpa |
| PubChem | 6442161 |
| LOTUS | LTS0064459 |
| wikiData | Q105158828 |