General Information of the Compound
| Compound ID |
CP0038755
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| Compound Name |
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester
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| Synonyms |
100981-80-4
104594-70-9
115610-29-2
2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl
2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate
2-phenylethyl caffeate
CAPE
CHEBI:8062
CHEMBL319244
Caffeic Acid Phenethyl Ester, Synthetic
Caffeic acid 2-phenylethyl ester
Caffeic acid phenethyl ester
Caffeic acid-phenethyl ester
Capeee
G960R9S5SK
PHENETHYL CAFFEATE (CAPE)
Phenethyl caffeate
Phenylethyl caffeate
SWUARLUWKZWEBQ-VQHVLOKHSA-N
UNII-G960R9S5SK
caffeic acid phenylethyl ester
phenethyl 3-(3,4-dihydroxyphenyl)acrylate
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| Structure |
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| Formula |
C17H16O4
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| Molecular Weight |
284.311
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
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| InChI |
InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
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| InChIKey |
SWUARLUWKZWEBQ-VQHVLOKHSA-N
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| CAS |
115610-29-2
104594-70-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00886, Estrogen receptor
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000244 | 786-O | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 26800 nM
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Clinical Information about the Compound
Drug 1 ( Caffeic acid phenethyl ester )
| Drug Name | Caffeic acid phenethyl ester | ||
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