7-(3,4-Dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one
| Internal ID | 3e0310eb-b0ec-4e70-812b-4e76b45e5c39 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one |
| SMILES (Canonical) | C1=CC(=CC=C1CCC(=O)CC(CCC2=CC(=C(C=C2)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CCC(=O)CC(CCC2=CC(=C(C=C2)O)O)O)O |
| InChI | InChI=1S/C19H22O5/c20-15-6-1-13(2-7-15)3-8-16(21)12-17(22)9-4-14-5-10-18(23)19(24)11-14/h1-2,5-7,10-11,17,20,22-24H,3-4,8-9,12H2 |
| InChI Key | OAGXTVOZBKKJKA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O5 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.40 |
| 3-Heptanone, 7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)- |
| 7-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-1-(4-HYDROXYPHENYL)HEPTAN-3-ONE |
| Compound NP-003617 |
| ACon1_001699 |
| DTXSID50537755 |
| CHEBI:183366 |
| AKOS040739866 |
| NCGC00180232-01 |
| BRD-A19656817-001-01-6 |
| 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 | 98.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.70% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.76% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.53% | 94.45% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 89.52% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.39% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.02% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.21% | 98.75% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.55% | 94.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.03% | 85.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.43% | 94.73% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.84% | 94.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.58% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.19% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.12% | 99.35% |
| CHEMBL3194 | P02766 | Transthyretin | 80.65% | 90.71% |
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 |
| Curcuma kwangsiensis |
| PubChem | 13347314 |
| LOTUS | LTS0238124 |
| wikiData | Q82412854 |