1-[3-(6,7-Dihydroxy-3,7-dimethyloct-2-enyl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
| Internal ID | d3bf6580-c10c-475c-bc23-6eecfa329c8f |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | 1-[3-(6,7-dihydroxy-3,7-dimethyloct-2-enyl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)CCC(C(C)(C)O)O |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)CCC(C(C)(C)O)O |
| InChI | InChI=1S/C25H30O6/c1-16(5-15-23(29)25(2,3)31)4-11-19-22(28)14-12-20(24(19)30)21(27)13-8-17-6-9-18(26)10-7-17/h4,6-10,12-14,23,26,28-31H,5,11,15H2,1-3H3 |
| InChI Key | WITPWPNGSBUCIY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H30O6 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 1-[3-(6,7-Dihydroxy-3,7-dimethyloct-2-enyl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-67-dihydroxy-37-dimethyloct-2-enyl-24-dihydroxyphenyl-3-4-hydroxyphenylprop-2-en-1-one.jpg "2D Structure of 1-[3-(6,7-Dihydroxy-3,7-dimethyloct-2-enyl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.43% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.55% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.43% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.27% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.20% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.66% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.29% | 92.68% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.07% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.84% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 83.29% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.97% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.36% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.33% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.16% | 95.50% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.67% | 93.10% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.50% | 90.93% |
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.
| Angelica keiskei |
| PubChem | 69060387 |
| LOTUS | LTS0220151 |
| wikiData | Q105306501 |