3,6-dihydroxy-2-[(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]benzaldehyde
| Internal ID | 8257a10e-c9c3-4da3-bf93-16152ac6f65b |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzaldehydes > Hydroxybenzaldehydes |
| IUPAC Name | 3,6-dihydroxy-2-[(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]benzaldehyde |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(C2CC3=C(C=CC(=C3C=O)O)O)(C)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC(C2CC3=C(C=CC(=C3C=O)O)O)(C)O)C)C |
| InChI | InChI=1S/C22H32O4/c1-20(2)9-5-10-21(3)18(20)8-11-22(4,26)19(21)12-14-15(13-23)17(25)7-6-16(14)24/h6-7,13,18-19,24-26H,5,8-12H2,1-4H3 |
| InChI Key | ASIYDTZMRHYFMC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 3,6-dihydroxy-2-[(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]benzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/b54d4b60-859d-11ee-922e-25d67d54ae7f.jpg "2D Structure of 3,6-dihydroxy-2-[(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 97.11% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.08% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.87% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.69% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.71% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.58% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.82% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.82% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.30% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.44% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.81% | 92.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.12% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 74051194 |
| LOTUS | LTS0129171 |
| wikiData | Q104917868 |