2-Hydroxy-3-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
| Internal ID | 7e65607b-835d-4e5f-a665-5ca27783d8d1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-hydroxy-3-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde |
| SMILES (Canonical) | CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)OC)O)C=O |
| SMILES (Isomeric) | CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)OC)O)C=O |
| InChI | InChI=1S/C16H16O5/c1-7(2)11-13-12(10(18)5-8(3)14(13)19)9(6-17)15(20)16(11)21-4/h5-7,20H,1-4H3 |
| InChI Key | LNVWPMKIJHBDAL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H16O5 |
| Molecular Weight | 288.29 g/mol |
| Exact Mass | 288.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 2.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.12% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.76% | 98.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.03% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.66% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.55% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.95% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.62% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.39% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.18% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.63% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.15% | 90.71% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.71% | 92.68% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.62% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.15% | 89.00% |
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.
| Gossypium barbadense |
| PubChem | 14059507 |
| LOTUS | LTS0170564 |
| wikiData | Q105154529 |