2-[3-Hydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 2c392fbb-17a7-4e6e-a97f-23e5833fa395 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | 2-[3-hydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H34O12/c1-34-18-10-14(5-6-15(18)28)21(30)20(36-17-7-4-13(3-2-8-26)9-16(17)29)12-35-25-24(33)23(32)22(31)19(11-27)37-25/h4-7,9-10,19-33H,2-3,8,11-12H2,1H3 |
| InChI Key | VZBPOJAXRHFNRT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H34O12 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.20502652 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 2-[3-Hydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/db22c400-85a2-11ee-ab95-397e4ae6b2c9.jpg "2D Structure of 2-[3-Hydroxy-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-3-(4-hydroxy-3-methoxyphenyl)propoxy]-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.42% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.21% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.48% | 91.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.45% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.81% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.84% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.60% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.25% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.68% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.46% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.21% | 96.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 84.33% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.98% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.77% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.70% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.10% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.82% | 89.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.77% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.13% | 90.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.20% | 82.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.19% | 99.15% |
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.
| Pinus massoniana |
| PubChem | 162948681 |
| LOTUS | LTS0080178 |
| wikiData | Q105299625 |