4-[(S)-hydroxy-[(3S,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol
| Internal ID | c4ddc1eb-3f4c-4275-99ac-6a18e324041d |
| Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans > Tetrahydrofuran lignans > 9,9-epoxylignans |
| IUPAC Name | 4-[(S)-hydroxy-[(3S,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(C2COCC2C(C3=CC(=C(C=C3)O)OC)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]([C@@H]2COC[C@@H]2[C@@H](C3=CC(=C(C=C3)O)OC)O)O)O |
| InChI | InChI=1S/C20H24O7/c1-25-17-7-11(3-5-15(17)21)19(23)13-9-27-10-14(13)20(24)12-4-6-16(22)18(8-12)26-2/h3-8,13-14,19-24H,9-10H2,1-2H3/t13-,14+,19-,20-/m1/s1 |
| InChI Key | YHYNYYXJMLXPRQ-RYMBOPBQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 4-[(S)-hydroxy-[(3S,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/2e9984f0-87ad-11ee-968c-b95ccb39d2d1.jpg "2D Structure of 4-[(S)-hydroxy-[(3S,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol")
| 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 | 98.93% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.85% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.09% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.44% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.08% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.35% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.24% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.39% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.28% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.76% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.44% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.56% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.25% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.14% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.80% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.80% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.36% | 94.45% |
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.
| Abies nephrolepis |
| Viburnum foetidum |
| PubChem | 163187186 |
| LOTUS | LTS0162302 |
| wikiData | Q105348679 |