2-(Hydroxymethyl)-6-[4-[1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenoxy]oxane-3,4,5-triol
| Internal ID | 3fb7edf4-e9ab-425b-b897-13ece77a6554 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[4-[1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C=CC(C=CC1=CC=C(C=C1)O)C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | C=CC(C=CC1=CC=C(C=C1)O)C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C23H26O7/c1-2-15(6-3-14-4-9-17(25)10-5-14)16-7-11-18(12-8-16)29-23-22(28)21(27)20(26)19(13-24)30-23/h2-12,15,19-28H,1,13H2 |
| InChI Key | RNEMOJUBTJOCED-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O7 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2-(Hydroxymethyl)-6-[4-[1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenoxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxymethyl-6-4-1-4-hydroxyphenylpenta-14-dien-3-ylphenoxyoxane-345-triol.jpg "2D Structure of 2-(Hydroxymethyl)-6-[4-[1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]phenoxy]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 | 99.04% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 96.81% | 98.35% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.49% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.11% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.86% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.12% | 97.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 90.01% | 89.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.92% | 96.09% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 87.78% | 94.97% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.54% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.85% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.76% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.64% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.68% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.50% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.15% | 90.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.29% | 85.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.97% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.83% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.72% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.67% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.27% | 86.92% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.78% | 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.
| Hypoxis nyasica |
| PubChem | 162997284 |
| LOTUS | LTS0073976 |
| wikiData | Q105241280 |