4-[(2S,3S,4R)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
| Internal ID | 3638334f-327c-4b13-a9b5-ff48ff6c5e76 |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | 4-[(2S,3S,4R)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol |
| SMILES (Canonical) | CC(CC1=CC(=C(C=C1)O)OC)C(C)C(C2=CC(=C(C=C2)O)OC)O |
| SMILES (Isomeric) | C[C@@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)[C@H](C2=CC(=C(C=C2)O)OC)O |
| InChI | InChI=1S/C20H26O5/c1-12(9-14-5-7-16(21)18(10-14)24-3)13(2)20(23)15-6-8-17(22)19(11-15)25-4/h5-8,10-13,20-23H,9H2,1-4H3/t12-,13-,20+/m0/s1 |
| InChI Key | WRCSGYHRSMRAFZ-KQHSUYLTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 4-[(2S,3S,4R)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s3s4r-4-hydroxy-4-4-hydroxy-3-methoxyphenyl-23-dimethylbutyl-2-methoxyphenol.jpg "2D Structure of 4-[(2S,3S,4R)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.10% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.27% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.91% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.47% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 95.35% | 90.24% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.16% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.86% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.10% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.43% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.27% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.75% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.70% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.03% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.08% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.37% | 96.00% |
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.
To see more specific details click the taxa you are interested in.
| Leucas aspera |
| Myristica argentea |
| PubChem | 26195071 |
| LOTUS | LTS0134798 |
| wikiData | Q105311167 |