(5s)-5-Hydroxy-7-(4-hydroxyphenyl)-1-phenylhept-3-one
| Internal ID | d9fca812-61c9-4807-b608-ed31640f9c52 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (5S)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one |
| SMILES (Canonical) | C1=CC=C(C=C1)CCC(=O)CC(CCC2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)CCC(=O)C[C@H](CCC2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2/t19-/m0/s1 |
| InChI Key | UNMNJFPAJOHXMT-IBGZPJMESA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C19H22O3 |
| Molecular Weight | 298.40 g/mol |
| Exact Mass | 298.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.10 |
| 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 | 97.88% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 97.03% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.08% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.77% | 99.17% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 90.66% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.78% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.16% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.61% | 98.75% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.16% | 94.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.49% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.19% | 100.00% |
| CHEMBL3761 | Q9HCG7 | Beta-glucosidase | 80.09% | 99.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.04% | 90.20% |
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.
| Alpinia officinarum |
| PubChem | 46213178 |
| LOTUS | LTS0170141 |
| wikiData | Q105276051 |