5-[(2R,3R,4S)-4-hydroxy-4-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
| Internal ID | a4411f27-d9e8-49ac-9e60-42aca3e913da |
| Taxonomy | Lignans, neolignans and related compounds > Dibenzylbutane lignans |
| IUPAC Name | 5-[(2R,3R,4S)-4-hydroxy-4-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol |
| SMILES (Canonical) | CC(CC1=CC(=C(C(=C1)OC)OC)O)C(C)C(C2=CC(=C(C=C2O)OC)OC)O |
| SMILES (Isomeric) | C[C@H](CC1=CC(=C(C(=C1)OC)OC)O)[C@@H](C)[C@@H](C2=CC(=C(C=C2O)OC)OC)O |
| InChI | InChI=1S/C22H30O7/c1-12(7-14-8-17(24)22(29-6)20(9-14)28-5)13(2)21(25)15-10-18(26-3)19(27-4)11-16(15)23/h8-13,21,23-25H,7H2,1-6H3/t12-,13-,21+/m1/s1 |
| InChI Key | SRXKZHVLEVEYFU-ZNLKAECVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H30O7 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 97.60 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 5-[(2R,3R,4S)-4-hydroxy-4-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2r3r4s-4-hydroxy-4-2-hydroxy-45-dimethoxyphenyl-23-dimethylbutyl-23-dimethoxyphenol.jpg "2D Structure of 5-[(2R,3R,4S)-4-hydroxy-4-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol")
| 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 | 98.14% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.81% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.05% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.60% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.42% | 90.20% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.96% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.73% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.66% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.43% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.79% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.24% | 95.89% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 83.21% | 95.12% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.79% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.43% | 94.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.52% | 95.56% |
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.
| Kadsura coccinea |
| Peperomia heyneana |
| PubChem | 162966243 |
| LOTUS | LTS0125002 |
| wikiData | Q105170825 |