4-[(1R,2R)-1-hydroxy-2-[4-[(E)-prop-1-enyl]phenoxy]propyl]phenol
| Internal ID | 4efe1ab2-2e59-4d4e-a3a6-8f6f1a7de6f8 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4-[(1R,2R)-1-hydroxy-2-[4-[(E)-prop-1-enyl]phenoxy]propyl]phenol |
| SMILES (Canonical) | CC=CC1=CC=C(C=C1)OC(C)C(C2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | C/C=C/C1=CC=C(C=C1)O[C@H](C)[C@@H](C2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C18H20O3/c1-3-4-14-5-11-17(12-6-14)21-13(2)18(20)15-7-9-16(19)10-8-15/h3-13,18-20H,1-2H3/b4-3+/t13-,18+/m1/s1 |
| InChI Key | FDBCZVHHFLWSJZ-LHNBFNSWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O3 |
| Molecular Weight | 284.30 g/mol |
| Exact Mass | 284.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of 4-[(1R,2R)-1-hydroxy-2-[4-[(E)-prop-1-enyl]phenoxy]propyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-1r2r-1-hydroxy-2-4-e-prop-1-enylphenoxypropylphenol.jpg "2D Structure of 4-[(1R,2R)-1-hydroxy-2-[4-[(E)-prop-1-enyl]phenoxy]propyl]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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 96.72% | 98.35% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 94.86% | 92.51% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 94.85% | 91.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.79% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.14% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.89% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.68% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.24% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.44% | 96.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 87.78% | 94.97% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.84% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.46% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.49% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.85% | 93.31% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.42% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.81% | 86.33% |
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.
| Krameria bicolor |
| Krameria erecta |
| PubChem | 14213231 |
| LOTUS | LTS0176971 |
| wikiData | Q104993493 |