4-[(2S,4R,5R)-5-hydroxy-2-(4-hydroxyphenyl)oxan-4-yl]benzene-1,2-diol
| Internal ID | 8c6616e0-783b-4aa4-b3b7-c09266c322b7 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4-[(2S,4R,5R)-5-hydroxy-2-(4-hydroxyphenyl)oxan-4-yl]benzene-1,2-diol |
| SMILES (Canonical) | C1C(C(COC1C2=CC=C(C=C2)O)O)C3=CC(=C(C=C3)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@H](CO[C@@H]1C2=CC=C(C=C2)O)O)C3=CC(=C(C=C3)O)O |
| InChI | InChI=1S/C17H18O5/c18-12-4-1-10(2-5-12)17-8-13(16(21)9-22-17)11-3-6-14(19)15(20)7-11/h1-7,13,16-21H,8-9H2/t13-,16+,17+/m1/s1 |
| InChI Key | KTBMETYOQLNVNV-COXVUDFISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 4-[(2S,4R,5R)-5-hydroxy-2-(4-hydroxyphenyl)oxan-4-yl]benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s4r5r-5-hydroxy-2-4-hydroxyphenyloxan-4-ylbenzene-12-diol.jpg "2D Structure of 4-[(2S,4R,5R)-5-hydroxy-2-(4-hydroxyphenyl)oxan-4-yl]benzene-1,2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.27% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.47% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.78% | 91.49% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 87.17% | 88.48% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.36% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.03% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.92% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 84.80% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.67% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.96% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.94% | 95.93% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.29% | 93.10% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.61% | 97.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.28% | 92.94% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.96% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.68% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.37% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.82% | 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.
| Sequoia sempervirens |
| PubChem | 162937832 |
| LOTUS | LTS0177975 |
| wikiData | Q105145693 |