5-ethyl-2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-4-hydroxybenzaldehyde
| Internal ID | 1ef97c23-ab48-46fe-90d7-f7d2c3edf239 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Cyclohexylphenols |
| IUPAC Name | 5-ethyl-2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-4-hydroxybenzaldehyde |
| SMILES (Canonical) | CCC1=CC(=C(C=C1O)C2(CCCC(C2C=O)(C)C)C)C=O |
| SMILES (Isomeric) | CCC1=CC(=C(C=C1O)[C@]2(CCCC([C@@H]2C=O)(C)C)C)C=O |
| InChI | InChI=1S/C19H26O3/c1-5-13-9-14(11-20)15(10-16(13)22)19(4)8-6-7-18(2,3)17(19)12-21/h9-12,17,22H,5-8H2,1-4H3/t17-,19+/m0/s1 |
| InChI Key | NVNFXDJNNBHVGI-PKOBYXMFSA-N |
| Popularity | 0 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 | 4.50 |
| There are no found synonyms. |
![2D Structure of 5-ethyl-2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-4-hydroxybenzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/5-ethyl-2-1s2s-2-formyl-133-trimethylcyclohexyl-4-hydroxybenzaldehyde.jpg "2D Structure of 5-ethyl-2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-4-hydroxybenzaldehyde")
| 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 | 98.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.86% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.04% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.09% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.91% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.87% | 83.57% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.22% | 98.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.17% | 97.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.33% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.19% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.13% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.00% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.98% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.79% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.74% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.21% | 94.75% |
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 var. formosana |
| Cryptomeria japonica |
| PubChem | 154495951 |
| LOTUS | LTS0058929 |
| wikiData | Q105186329 |