4-[(1S,2S,3R,4R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylcyclobutyl]-2-methoxyphenol
| Internal ID | a775b81f-3e29-4c42-a95e-6f0e1e2d9c9e |
| Taxonomy | Lignans, neolignans and related compounds > Cyclobutane lignans |
| IUPAC Name | 4-[(1S,2S,3R,4R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylcyclobutyl]-2-methoxyphenol |
| SMILES (Canonical) | CC1C(C(C1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
| SMILES (Isomeric) | C[C@@H]1[C@H]([C@@H]([C@H]1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)O)OC)C |
| InChI | InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20-/m1/s1 |
| InChI Key | QDBUCXMBHJMGCN-IIBDXVJDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O4 |
| Molecular Weight | 328.40 g/mol |
| Exact Mass | 328.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 4-[(1S,2S,3R,4R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylcyclobutyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-1s2s3r4r-2-4-hydroxy-3-methoxyphenyl-34-dimethylcyclobutyl-2-methoxyphenol.jpg "2D Structure of 4-[(1S,2S,3R,4R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylcyclobutyl]-2-methoxyphenol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2034 | P04150 | Glucocorticoid receptor |
900 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.88% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.00% | 91.49% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.08% | 89.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.69% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.32% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.99% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.06% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.96% | 90.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.92% | 96.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.44% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.24% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 82.72% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.51% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.78% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.91% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.52% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.15% | 97.09% |
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.
| Endiandra anthropophagorum |
| PubChem | 162868224 |
| LOTUS | LTS0146569 |
| wikiData | Q105111530 |