alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone
| Internal ID | abd3fdaa-9d80-40c1-89b6-d3f3be91f109 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | 1-[4-[(2E)-3,6-dimethylhepta-2,5-dienoxy]-2-hydroxyphenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one |
| SMILES (Canonical) | CC(=CCC(=CCOC1=CC(=C(C=C1)C(=O)C(CC2=CC=C(C=C2)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CC/C(=C/COC1=CC(=C(C=C1)C(=O)C(CC2=CC=C(C=C2)O)O)O)/C)C |
| InChI | InChI=1S/C24H28O5/c1-16(2)4-5-17(3)12-13-29-20-10-11-21(22(26)15-20)24(28)23(27)14-18-6-8-19(25)9-7-18/h4,6-12,15,23,25-27H,5,13-14H2,1-3H3/b17-12+ |
| InChI Key | VDTQLOASZLCFCY-SFQUDFHCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O5 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 5.80 |
| CHEBI:184669 |
| LMPK12120572 |
| 1-[4-[(2E)-3,6-dimethylhepta-2,5-dienoxy]-2-hydroxyphenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one |
| 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 | 97.71% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.46% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.86% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.21% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.95% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.68% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.82% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.26% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.51% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.48% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.65% | 90.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.50% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.38% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.40% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.02% | 91.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.82% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.10% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.02% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.31% | 91.07% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.89% | 92.68% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.91% | 94.97% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.59% | 91.49% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.50% | 93.10% |
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.
| Alstonia coriacea |
| Millettia usaramensis |
| PubChem | 42607723 |
| LOTUS | LTS0237853 |
| wikiData | Q105264789 |