(E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one
Internal ID | 0d18d422-319b-43d8-b450-bc8c122b52dc |
Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
IUPAC Name | (E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one |
SMILES (Canonical) | CC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)O)O)C |
SMILES (Isomeric) | CC(=CCOC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)O)O)C |
InChI | InChI=1S/C21H22O5/c1-14(2)10-11-26-16-6-7-17(19(23)13-16)18(22)8-4-15-5-9-21(25-3)20(24)12-15/h4-10,12-13,23-24H,11H2,1-3H3/b8-4+ |
InChI Key | SQSGXNYYRZEYPR-XBXARRHUSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H22O5 |
Molecular Weight | 354.40 g/mol |
Exact Mass | 354.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 76.00 Ų |
XlogP | 5.00 |
There are no found synonyms. |
![2D Structure of (E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one 2D Structure of (E)-3-(3-hydroxy-4-methoxyphenyl)-1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-3-hydroxy-4-methoxyphenyl-1-2-hydroxy-4-3-methylbut-2-enoxyphenylprop-2-en-1-one.jpg)
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 | 96.75% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.46% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.87% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 94.58% | 90.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.16% | 96.00% |
CHEMBL2535 | P11166 | Glucose transporter | 92.36% | 98.75% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.61% | 95.50% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.80% | 91.49% |
CHEMBL3194 | P02766 | Transthyretin | 89.05% | 90.71% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.55% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.98% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 85.67% | 98.95% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.64% | 91.07% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.37% | 99.15% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.77% | 96.12% |
CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.01% | 97.53% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.76% | 94.73% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.28% | 92.94% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.92% | 85.14% |
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.
Millettia erythrocalyx |
PubChem | 57397162 |
LOTUS | LTS0070893 |
wikiData | Q105258507 |