3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]prop-2-enamide
Internal ID | 6f4cac20-01d1-43df-b7e1-48ada3cb2cd8 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
IUPAC Name | 3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]prop-2-enamide |
SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)NCC(=O)C2=CC=C(C=C2)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)NCC(=O)C2=CC=C(C=C2)O)O |
InChI | InChI=1S/C18H17NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,20-21H,11H2,1H3,(H,19,23) |
InChI Key | QIPDEXHJCVHMKQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C18H17NO5 |
Molecular Weight | 327.30 g/mol |
Exact Mass | 327.11067264 g/mol |
Topological Polar Surface Area (TPSA) | 95.90 Ų |
XlogP | 2.30 |
There are no found synonyms. |
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 | 98.60% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.24% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 95.16% | 90.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.09% | 99.17% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.84% | 96.00% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 93.92% | 90.20% |
CHEMBL3194 | P02766 | Transthyretin | 92.76% | 90.71% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.42% | 96.09% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.95% | 89.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.83% | 95.56% |
CHEMBL2535 | P11166 | Glucose transporter | 88.63% | 98.75% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.26% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 83.66% | 98.95% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.79% | 100.00% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.39% | 95.50% |
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.
Tribulus terrestris |
PubChem | 78385581 |
LOTUS | LTS0164395 |
wikiData | Q105221534 |