3,7-Dihydroxy-1,9-bis(4-hydroxyphenyl)nonan-5-one
| Internal ID | 80e0e725-3ff3-4f8d-8bf8-b564387b5cad |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 3,7-dihydroxy-1,9-bis(4-hydroxyphenyl)nonan-5-one |
| SMILES (Canonical) | C1=CC(=CC=C1CCC(CC(=O)CC(CCC2=CC=C(C=C2)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CCC(CC(=O)CC(CCC2=CC=C(C=C2)O)O)O)O |
| InChI | InChI=1S/C21H26O5/c22-17-7-1-15(2-8-17)5-11-19(24)13-21(26)14-20(25)12-6-16-3-9-18(23)10-4-16/h1-4,7-10,19-20,22-25H,5-6,11-14H2 |
| InChI Key | SVWHUAGYVUWJEF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.00% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.37% | 99.17% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.65% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.20% | 85.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.08% | 100.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.02% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.88% | 98.75% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.47% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.64% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.04% | 94.73% |
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.
| Erica cinerea |
| PubChem | 78112680 |
| LOTUS | LTS0129475 |
| wikiData | Q105262492 |