1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyheptan-3-one
| Internal ID | b841cdde-8ac8-4b49-952f-8cd177040dbe |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-5-(3,4,5-trihydroxyoxan-2-yl)oxyheptan-3-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OC(CCC2=CC=C(C=C2)O)CC(=O)CCC3=CC(=C(C=C3)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(O1)OC(CCC2=CC=C(C=C2)O)CC(=O)CCC3=CC(=C(C=C3)O)O)O)O)O |
| InChI | InChI=1S/C24H30O9/c25-16-6-1-14(2-7-16)4-9-18(33-24-23(31)22(30)21(29)13-32-24)12-17(26)8-3-15-5-10-19(27)20(28)11-15/h1-2,5-7,10-11,18,21-25,27-31H,3-4,8-9,12-13H2 |
| InChI Key | DAJUBFCWVHCYKM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O9 |
| Molecular Weight | 462.50 g/mol |
| Exact Mass | 462.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
| 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 | 99.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.19% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.19% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.73% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.42% | 95.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 92.18% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.12% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.15% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.08% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.79% | 99.15% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.58% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.28% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.65% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.45% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.24% | 97.21% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.45% | 85.31% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.78% | 85.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.71% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.72% | 95.89% |
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 japonica |
| Alnus serrulatoides |
| PubChem | 14707656 |
| LOTUS | LTS0114680 |
| wikiData | Q104973646 |