5-Hydroxy-1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxylphenyl)-3-heptanone
| Internal ID | b94f8e77-acf6-49b3-abf4-636386481d7e |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=C(C=C2)O)O)O |
| InChI | InChI=1S/C20H24O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,18,21,23-24H,4-5,9-10,13H2,1H3 |
| InChI Key | WAHUIEHYVBLIER-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.70 |
| NCGC00180079-01 |
| BRD-A88538722-001-01-6 |
| 5-hydroxy-1-(4-hydroxyphenyl)-7-(4-hydroxy-3-methoxylphenyl)-3-heptanone |
| 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 | 98.64% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.46% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.03% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.79% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.47% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.05% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.03% | 90.20% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.86% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.53% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.41% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.95% | 90.71% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.70% | 95.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.44% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.23% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.34% | 85.14% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.63% | 85.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.25% | 95.50% |
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 |
| Curcuma comosa |
| Engelhardia roxburghiana |
| Juglans regia |
| PubChem | 21588208 |
| LOTUS | LTS0176713 |
| wikiData | Q105300220 |