(5S)-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-5-methoxyheptan-3-one
| Internal ID | 088a79f0-90b2-4b85-bae5-b7ee22c2efe7 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | (5S)-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-5-methoxyheptan-3-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=C(C=C2)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CC[C@@H](CC(=O)CCC2=CC=C(C=C2)O)OC)O |
| InChI | InChI=1S/C21H26O5/c1-25-19(11-6-16-7-12-20(24)21(13-16)26-2)14-18(23)10-5-15-3-8-17(22)9-4-15/h3-4,7-9,12-13,19,22,24H,5-6,10-11,14H2,1-2H3/t19-/m0/s1 |
| InChI Key | DOJDRAWSRCBQPL-IBGZPJMESA-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) | 76.00 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.05% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.89% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.47% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.31% | 95.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.41% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.44% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.23% | 86.33% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.86% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.72% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.23% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.13% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.50% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.15% | 99.15% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.14% | 85.00% |
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.
| Alpinia officinarum |
| Juglans mandshurica |
| PubChem | 163013521 |
| LOTUS | LTS0106212 |
| wikiData | Q104986017 |