2-[(1R,2R)-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl]-4-hydroxy-5-methoxybenzaldehyde
| Internal ID | 2b0adb6e-761e-4ef5-bdfe-f706a1757fa0 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylmethanes |
| IUPAC Name | 2-[(1R,2R)-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl]-4-hydroxy-5-methoxybenzaldehyde |
| SMILES (Canonical) | CC(C(C1=CC(=C(C=C1)OC)OC)C2=CC(=C(C=C2C=O)OC)O)C(=O)C |
| SMILES (Isomeric) | C[C@H]([C@H](C1=CC(=C(C=C1)OC)OC)C2=CC(=C(C=C2C=O)OC)O)C(=O)C |
| InChI | InChI=1S/C21H24O6/c1-12(13(2)23)21(14-6-7-18(25-3)20(8-14)27-5)16-10-17(24)19(26-4)9-15(16)11-22/h6-12,21,24H,1-5H3/t12-,21+/m0/s1 |
| InChI Key | KKCASOTYIFBECW-LAJNKCICSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2-[(1R,2R)-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl]-4-hydroxy-5-methoxybenzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/2-1r2r-1-34-dimethoxyphenyl-2-methyl-3-oxobutyl-4-hydroxy-5-methoxybenzaldehyde.jpg "2D Structure of 2-[(1R,2R)-1-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutyl]-4-hydroxy-5-methoxybenzaldehyde")
| 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 | 97.61% | 98.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.68% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.36% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.14% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.77% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.58% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.34% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.90% | 90.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.93% | 83.10% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.18% | 90.20% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.76% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.38% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.85% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 85.31% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.37% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.62% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.37% | 91.19% |
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.
| Aristolochia holostylis |
| PubChem | 163089892 |
| LOTUS | LTS0142577 |
| wikiData | Q105142114 |