3-[(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-2,5,6-trihydroxybenzaldehyde
| Internal ID | a22297b2-cfeb-4b56-9028-b59c4177e2e7 |
| Taxonomy | Benzenoids > Phenols > Benzenetriols and derivatives > Hydroxyquinols and derivatives |
| IUPAC Name | 3-[(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-2,5,6-trihydroxybenzaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30O4/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)10-14-11-17(24)20(26)15(12-23)19(14)25/h6,11-12,16,18,24-26H,5,7-10H2,1-4H3 |
| InChI Key | SKKQYRZGBKHKPE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of 3-[(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-2,5,6-trihydroxybenzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/3-2558a-tetramethyl-144a678-hexahydronaphthalen-1-ylmethyl-256-trihydroxybenzaldehyde.jpg "2D Structure of 3-[(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methyl]-2,5,6-trihydroxybenzaldehyde")
| 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 | 98.75% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.68% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.54% | 94.75% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.60% | 98.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.98% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.27% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.62% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.52% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.30% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.79% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.50% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.40% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.21% | 93.99% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.97% | 95.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.67% | 97.25% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.16% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.92% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.90% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.63% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74051603 |
| LOTUS | LTS0125329 |
| wikiData | Q105254880 |