4-[(2S)-2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-5-methoxybenzene-1,3-diol
| Internal ID | 18cb1bd2-8bd9-4622-8805-08d703959197 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | 4-[(2S)-2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-5-methoxybenzene-1,3-diol |
| SMILES (Canonical) | COC1=CC(=CC(=C1CC(CC2=CC(=C(C=C2)O)OC)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1C[C@H](CC2=CC(=C(C=C2)O)OC)O)O)O |
| InChI | InChI=1S/C17H20O6/c1-22-16-9-12(19)8-15(21)13(16)7-11(18)5-10-3-4-14(20)17(6-10)23-2/h3-4,6,8-9,11,18-21H,5,7H2,1-2H3/t11-/m0/s1 |
| InChI Key | NFEPMBMLMVYLAD-NSHDSACASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O6 |
| Molecular Weight | 320.30 g/mol |
| Exact Mass | 320.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 4-[(2S)-2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-5-methoxybenzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s-2-hydroxy-3-4-hydroxy-3-methoxyphenylpropyl-5-methoxybenzene-13-diol.jpg "2D Structure of 4-[(2S)-2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-5-methoxybenzene-1,3-diol")
| 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 | 97.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.27% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.33% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.47% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.11% | 91.11% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.85% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.21% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.16% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.20% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.20% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.52% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.48% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.30% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.02% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 80.65% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.08% | 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.
| Lindera umbellata |
| PubChem | 163190396 |
| LOTUS | LTS0021039 |
| wikiData | Q105178413 |