4-hydroxy-5-propan-2-yl-2-[(1R)-1,3,3-trimethyl-2-oxocyclohexyl]benzaldehyde
| Internal ID | 6d69d9c2-89d9-4888-ab99-8762c3f5a280 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Cyclohexylphenols |
| IUPAC Name | 4-hydroxy-5-propan-2-yl-2-[(1R)-1,3,3-trimethyl-2-oxocyclohexyl]benzaldehyde |
| SMILES (Canonical) | CC(C)C1=C(C=C(C(=C1)C=O)C2(CCCC(C2=O)(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C(C(=C1)C=O)[C@]2(CCCC(C2=O)(C)C)C)O |
| InChI | InChI=1S/C19H26O3/c1-12(2)14-9-13(11-20)15(10-16(14)21)19(5)8-6-7-18(3,4)17(19)22/h9-12,21H,6-8H2,1-5H3/t19-/m1/s1 |
| InChI Key | TUHAXJRKHALZKK-LJQANCHMSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C19H26O3 |
| Molecular Weight | 302.40 g/mol |
| Exact Mass | 302.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 4.20 |
| SCHEMBL18290304 |
| BDBM50549355 |
![2D Structure of 4-hydroxy-5-propan-2-yl-2-[(1R)-1,3,3-trimethyl-2-oxocyclohexyl]benzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-5-propan-2-yl-2-1r-133-trimethyl-2-oxocyclohexylbenzaldehyde.jpg "2D Structure of 4-hydroxy-5-propan-2-yl-2-[(1R)-1,3,3-trimethyl-2-oxocyclohexyl]benzaldehyde")
| 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 | 98.81% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.18% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.69% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.92% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.23% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.81% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.74% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.09% | 99.15% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 91.44% | 98.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.43% | 90.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.07% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.04% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.26% | 91.07% |
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.
| Taxodium distichum |
| PubChem | 102406773 |
| LOTUS | LTS0187410 |
| wikiData | Q105264768 |