2-Methoxy-4-[(2R,3S)-2,3-dimethyl-4-(3,4-dimethoxyphenyl)butyl]phenol
| Internal ID | 0af67996-9174-40cf-bd41-ee8e9d4cb01e |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | 4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol |
| SMILES (Canonical) | CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)OC)OC |
| SMILES (Isomeric) | C[C@H](CC1=CC(=C(C=C1)O)OC)[C@@H](C)CC2=CC(=C(C=C2)OC)OC |
| InChI | InChI=1S/C21H28O4/c1-14(10-16-6-8-18(22)20(12-16)24-4)15(2)11-17-7-9-19(23-3)21(13-17)25-5/h6-9,12-15,22H,10-11H2,1-5H3/t14-,15+/m1/s1 |
| InChI Key | NNYAKQAKXHZMKI-CABCVRRESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 5.30 |
| meso-monomethyldihydroguaiaretic acid |
| 2-Methoxy-4-[(2R,3S)-2,3-dimethyl-4-(3,4-dimethoxyphenyl)butyl]phenol |
![2D Structure of 2-Methoxy-4-[(2R,3S)-2,3-dimethyl-4-(3,4-dimethoxyphenyl)butyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/07/2-methoxy-4-2r3s-23-dimethyl-4-34-dimethoxyphenylbutylphenol.jpg "2D Structure of 2-Methoxy-4-[(2R,3S)-2,3-dimethyl-4-(3,4-dimethoxyphenyl)butyl]phenol")
| 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 | 97.05% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.37% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.35% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.40% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.88% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.36% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.06% | 90.24% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.16% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.96% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.65% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.11% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.82% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.34% | 89.62% |
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.
| Machilus thunbergii |
| Schisandra propinqua |
| Schisandra rubriflora |
| PubChem | 11725068 |
| NPASS | NPC117780 |
| ChEMBL | CHEMBL551810 |
| LOTUS | LTS0263753 |
| wikiData | Q105182375 |