1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(3,4-epoxy-4-methyl-1-pentenyl)-2h-1-benzopyran-5-yl]-1-propanone
| Internal ID | 733dd8fd-c13d-4517-a397-fda90b8b9641 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | 1-(2,4-dihydroxyphenyl)-3-[2-[2-(3,3-dimethyloxiran-2-yl)ethenyl]-8-hydroxy-2-methylchromen-5-yl]propan-1-one |
| SMILES (Canonical) | CC1(C(O1)C=CC2(C=CC3=C(C=CC(=C3O2)O)CCC(=O)C4=C(C=C(C=C4)O)O)C)C |
| SMILES (Isomeric) | CC1(C(O1)C=CC2(C=CC3=C(C=CC(=C3O2)O)CCC(=O)C4=C(C=C(C=C4)O)O)C)C |
| InChI | InChI=1S/C25H26O6/c1-24(2)22(30-24)11-13-25(3)12-10-17-15(5-9-20(28)23(17)31-25)4-8-19(27)18-7-6-16(26)14-21(18)29/h5-7,9-14,22,26,28-29H,4,8H2,1-3H3 |
| InChI Key | UQVWHSSJADNMTJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 99.50 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(3,4-epoxy-4-methyl-1-pentenyl)-2h-1-benzopyran-5-yl]-1-propanone](https://plantaedb.com/storage/docs/compounds/2023/11/76a86440-84d9-11ee-861f-bbe9a1fef433.jpg "2D Structure of 1-(2,4-Dihydroxyphenyl)-3-[8-hydroxy-2-methyl-2-(3,4-epoxy-4-methyl-1-pentenyl)-2h-1-benzopyran-5-yl]-1-propanone")
| 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 | 99.52% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.96% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.26% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.53% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.48% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.98% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.78% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.77% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.87% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 85.46% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.80% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.73% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.04% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.68% | 97.09% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.48% | 80.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.76% | 92.62% |
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.
| Artocarpus altilis |
| Taraxacum linearisquameum |
| Taraxacum udum |
| PubChem | 73307005 |
| LOTUS | LTS0034719 |
| wikiData | Q104965529 |