(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)pent-4-ene-1,2-diol
| Internal ID | 553cc594-dc18-4522-9b9d-46e76f718bdd |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)pent-4-ene-1,2-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(C=CC2=CC=C(C=C2)O)C(CO)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H](C=CC2=CC=C(C=C2)O)[C@@H](CO)O)O |
| InChI | InChI=1S/C18H20O5/c1-23-18-10-13(5-9-16(18)21)15(17(22)11-19)8-4-12-2-6-14(20)7-3-12/h2-10,15,17,19-22H,11H2,1H3/t15-,17+/m0/s1 |
| InChI Key | JRWXFOFDIRHTQG-DOTOQJQBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O5 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.66% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.46% | 98.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.90% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.67% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.46% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.52% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 93.38% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.48% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.51% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.31% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.81% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.61% | 99.15% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.70% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.38% | 98.75% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.25% | 93.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.79% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.02% | 85.14% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.67% | 89.67% |
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.
| Metasequoia glyptostroboides |
| PubChem | 132587059 |
| LOTUS | LTS0167251 |
| wikiData | Q105134148 |