1-[2-(2,6-Dihydroxy-6-methylhept-4-en-2-yl)-3,4-dihydroxy-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
| Internal ID | 6d81aaff-5b6c-4064-a135-c9e0c689c649 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Furanochalcones |
| IUPAC Name | 1-[2-(2,6-dihydroxy-6-methylhept-4-en-2-yl)-3,4-dihydroxy-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
| SMILES (Canonical) | CC(C)(C=CCC(C)(C1C(C2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | CC(C)(C=CCC(C)(C1C(C2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C25H28O7/c1-24(2,30)13-4-14-25(3,31)23-22(29)20-19(32-23)12-10-17(21(20)28)18(27)11-7-15-5-8-16(26)9-6-15/h4-13,22-23,26,28-31H,14H2,1-3H3 |
| InChI Key | SWONFSQDRVSFHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O7 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 1-[2-(2,6-Dihydroxy-6-methylhept-4-en-2-yl)-3,4-dihydroxy-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2ef68040-8670-11ee-8182-4d8390f3d8ed.jpg "2D Structure of 1-[2-(2,6-Dihydroxy-6-methylhept-4-en-2-yl)-3,4-dihydroxy-2,3-dihydro-1-benzofuran-5-yl]-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 | 94.68% | 91.11% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 93.57% | 97.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.74% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.14% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.27% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.06% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.63% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.24% | 95.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 88.03% | 90.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.76% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.66% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.69% | 97.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.87% | 85.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.73% | 89.67% |
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 | 74376618 |
| LOTUS | LTS0126707 |
| wikiData | Q105262775 |