6-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-5,7-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde
| Internal ID | 4aee39b9-88d3-4183-8c6f-20d41bf13470 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 6-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-5,7-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26O8/c1-28-18-9-14(5-7-17(18)26)21(27)20(12-25)31-23-19(29-2)10-15-8-13(11-24)4-6-16(15)22(23)30-3/h5,7-11,20-21,25-27H,4,6,12H2,1-3H3/t20-,21+/m1/s1 |
| InChI Key | KXAPTHAQHKWOER-RTWAWAEBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H26O8 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 6-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-5,7-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/a4015530-85e1-11ee-aeac-1f1d51efb193.jpg "2D Structure of 6-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-5,7-dimethoxy-3,4-dihydronaphthalene-2-carbaldehyde")
| 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 | 98.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.12% | 96.09% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 95.79% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.67% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.10% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.70% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.94% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.73% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.25% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.55% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.50% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.02% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.49% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.40% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.78% | 90.20% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.31% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.17% | 89.00% |
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.
| Daphne feddei |
| PubChem | 163104810 |
| LOTUS | LTS0074472 |
| wikiData | Q105147251 |