6-(3-(2',4'-Dihydroxyphenyl)acryloyl)-7-hydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-benzopyran
| Internal ID | 4b1b00fd-0856-467a-a261-cbb9ce345aa7 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones |
| IUPAC Name | (E)-3-(2,4-dihydroxyphenyl)-1-[7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-en-1-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC(=C1O)C(=O)C=CC3=C(C=C(C=C3)O)O)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC(=C1O)C(=O)/C=C/C3=C(C=C(C=C3)O)O)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C25H26O5/c1-15(2)5-9-19-23(29)20(13-17-11-12-25(3,4)30-24(17)19)21(27)10-7-16-6-8-18(26)14-22(16)28/h5-8,10-14,26,28-29H,9H2,1-4H3/b10-7+ |
| InChI Key | XTHINBCPCUAECJ-JXMROGBWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 6.00 |
| (E)-3-(2,4-Dihydroxyphenyl)-1-(7-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl)prop-2-en-1-one |
| 1435896-63-1 |
| 2-Propen-1-one, 3-(2,4-dihydroxyphenyl)-1-(7-hydroxy-2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-6-yl)- |
| 2-Propen-1-one, 3-(2,4-dihydroxyphenyl)-1-(7-hydroxy-2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-6-yl)-, (2E)- |
| 6-(3-(2',4'-Dihydroxyphenyl)acryloyl)-7-hydroxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-benzopyran |
| 2,4,2'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4',5']chalcone |
| UNII-MEL2TEN7TH |
| LMPK12120126 |
| 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 | 99.48% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.23% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.54% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.80% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.45% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.21% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.66% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 91.01% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.66% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.85% | 90.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 87.00% | 80.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.07% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.81% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.51% | 97.28% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.54% | 95.50% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.45% | 91.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.04% | 95.56% |
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.
| Sophora tonkinensis |
| PubChem | 42607547 |
| LOTUS | LTS0085860 |
| wikiData | Q105341563 |