2-[1,7-Bis(3,4-dihydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 1c2994eb-cdfa-48da-a1d8-9b9f07ef6f11 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 2-[1,7-bis(3,4-dihydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1=CC(=C(C=C1CCCCC(CCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1CCCCC(CCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| InChI | InChI=1S/C25H34O10/c26-13-21-22(31)23(32)24(33)25(35-21)34-16(8-5-15-7-10-18(28)20(30)12-15)4-2-1-3-14-6-9-17(27)19(29)11-14/h6-7,9-12,16,21-33H,1-5,8,13H2 |
| InChI Key | LSEDQFLRUJOXDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H34O10 |
| Molecular Weight | 494.50 g/mol |
| Exact Mass | 494.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 2-[1,7-Bis(3,4-dihydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/2-17-bis34-dihydroxyphenylheptan-3-yloxy-6-hydroxymethyloxane-345-triol.jpg "2D Structure of 2-[1,7-Bis(3,4-dihydroxyphenyl)heptan-3-yloxy]-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 | 99.57% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.14% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.40% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.36% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.16% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.06% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.78% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.16% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.65% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.27% | 95.93% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 84.91% | 96.37% |
| CHEMBL3194 | P02766 | Transthyretin | 83.97% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.94% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.27% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.52% | 86.33% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.74% | 100.00% |
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.
| Alnus firma |
| Alnus hirsuta |
| Alnus japonica |
| Pinus flexilis |
| PubChem | 75168353 |
| LOTUS | LTS0213518 |
| wikiData | Q105156480 |