2-[[4-[Hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 537754f7-af3f-4a6b-a97a-3a143e2e5244 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | 2-[[4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2C(C(CO2)C(C3=CC(=C(C=C3)O)OC)O)COC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2C(C(CO2)C(C3=CC(=C(C=C3)O)OC)O)COC4C(C(C(C(O4)CO)O)O)O)O |
| InChI | InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)28)21(30)14-10-36-25(13-4-6-17(29)19(8-13)35-2)15(14)11-37-26-24(33)23(32)22(31)20(9-27)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3 |
| InChI Key | FVMFBRPENVSJIZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O12 |
| Molecular Weight | 538.50 g/mol |
| Exact Mass | 538.20502652 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 2-[[4-[Hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/c00ff7c0-85da-11ee-b770-e758ecaba880.jpg "2D Structure of 2-[[4-[Hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 99.78% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.73% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.22% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.69% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.73% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.54% | 89.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.52% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.49% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.35% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.11% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.62% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.32% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.24% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.98% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.93% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.59% | 86.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.21% | 93.18% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.06% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.64% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.54% | 92.62% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.16% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.85% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.26% | 86.92% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.72% | 95.93% |
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.
| Osmanthus fragrans |
| PubChem | 162853432 |
| LOTUS | LTS0133457 |
| wikiData | Q105002544 |