2-(2-Formyl-1,3,3-trimethylcyclohexyl)-4-hydroxy-5-propan-2-ylbenzaldehyde
| Internal ID | c8874448-7c32-49f3-9c6d-1d7b73c9a012 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Cyclohexylphenols |
| IUPAC Name | 2-(2-formyl-1,3,3-trimethylcyclohexyl)-4-hydroxy-5-propan-2-ylbenzaldehyde |
| SMILES (Canonical) | CC(C)C1=C(C=C(C(=C1)C=O)C2(CCCC(C2C=O)(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C(C(=C1)C=O)C2(CCCC(C2C=O)(C)C)C)O |
| InChI | InChI=1S/C20H28O3/c1-13(2)15-9-14(11-21)16(10-17(15)23)20(5)8-6-7-19(3,4)18(20)12-22/h9-13,18,23H,6-8H2,1-5H3 |
| InChI Key | WFKAJHXRTWDPAT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 4.80 |
| 1072444-55-3 |
| 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 | 98.10% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.44% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.59% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.64% | 98.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.53% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.20% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.17% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.02% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.30% | 93.40% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.18% | 97.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.74% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.44% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.05% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.99% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.04% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.49% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
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.
| Chamaecyparis obtusa |
| Cryptomeria japonica |
| Juniperus chinensis |
| Premna serratifolia |
| Taiwania cryptomerioides |
| PubChem | 73193939 |
| LOTUS | LTS0242210 |
| wikiData | Q105303977 |