Compound Summary
Caffeic acid phenethyl ester
Compound Information
Caffeic acid phenethyl ester
Compound Name: | Caffeic acid phenethyl ester |
Compound CID: | 5281787 |
Synonyms: | Caffeic acid phenethyl ester Phenethyl caffeate 104594-70-9 CAPE Phenylethyl caffeate More... |
Iupac Name: | 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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+ |
InChIKey: | SWUARLUWKZWEBQ-VQHVLOKHSA-N |
Canonical Smiles: | C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O |
Isomeric Smiles: | C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O |
Molecular Weight: | 284.31 |
Molecular Formula: | C17H16O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Caffeic acid phenethyl ester
Molecular Weight: | 284.31 |
Molecular Formula: | C17H16O4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 21 |
Complexity: | 347 |
Synonyms
Caffeic acid phenethyl ester
| Caffeic acid phenethyl ester | Caffeic acid phenethyl ester |
|---|---|
Caffeic acid phenethyl ester |
Phenethyl caffeate |
104594-70-9 |
CAPE |
Phenylethyl caffeate |
phenethyl 3-(3,4-dihydroxyphenyl)acrylate |
Capeee |
115610-29-2 |
caffeic acid phenylethyl ester |
PHENETHYL CAFFEATE (CAPE) |
2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
UNII-G960R9S5SK |
100981-80-4 |
2-phenylethyl caffeate |
2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate |
(E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate |
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester |
CHEBI:8062 |
CHEMBL319244 |
G960R9S5SK |
MFCD00866470 |
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate |
SMR000326751 |
SR-01000075785 |
phenethyl 3,4-dihydroxycinnamate |
3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester |
Caffeic acid ester |
QAP |
2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate |
Caffeic Acid Phenethyl Ester, Synthetic |
Phenethyl (E)-caffeate |
caffeic acidphenethylester |
caffeic acid phenethylester |
caffeic-acid-phenethyl-ester |
caffeic acid phenylethylester |
Lopac0_000269 |
Phenylethyl caffeate, (E)- |
BSPBio_001560 |
BSPBio_003586 |
MLS000859889 |
MLS002207297 |
Caffeic acid-phenylethyl ester |
SPECTRUM1502209 |
2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
phenethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
ZINC1083 |
CHEBI:93478 |
DTXSID80861176 |
FR102 |
HMS1361N22 |
HMS1791N22 |
HMS1989N22 |
HMS2233J04 |
HMS3260F20 |
HMS3402N22 |
HMS3413D22 |
HMS3649C16 |
HMS3677D22 |
Phenylethyl 3,4-dihydroxycinnamate |
Caffeic acid beta-phenylethyl ester |
Trans-Caffeic Acid Phenethyl Ester |
BCP27877 |
Caffeic acid phenethyl ester(CAPE) |
EBD26363 |
HY-N0274 |
Tox21_500269 |
BDBM50029207 |
CCG-39542 |
s7414 |
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (E)- |
AKOS015888207 |
AC-8896 |
LP00269 |
SDCCGSBI-0050257.P002 |
IDI1_034030 |
QTL1_000016 |
NCGC00093727-01 |
NCGC00093727-02 |
NCGC00093727-03 |
NCGC00093727-04 |
NCGC00093727-05 |
NCGC00093727-06 |
NCGC00093727-07 |
NCGC00093727-08 |
NCGC00093727-09 |
NCGC00093727-16 |
NCGC00260954-01 |
AS-14021 |
I793 |
LS-14562 |
CS-0008774 |
EU-0100269 |
SW219156-1 |
C 8221 |
C-1400 |
3,4-Dihydroxy-trans-cinnamic acid phenethyl ester |
SR-01000075785-1 |
SR-01000075785-6 |
SR-01000075785-9 |
BRD-K84709232-001-02-6 |
BRD-K96188950-001-02-9 |
BRD-K96188950-001-04-5 |
Caffeic acid phenethyl ester, >=97% (HPLC), powder |
Q15410860 |
3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester |
Methanone, 1,1-(1,2-cyclopropanediyl)bis1-phenyl- |
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester |
Experimental Data
Caffeic acid phenethyl ester
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 100.000000000000000 | umol/L | Unclear | N2 | 33683565 | ||||||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 17.000000000000000 | Unclear | N2 | 33683565 | |||||||
| Caenorhabditis elegans | 20.000000000000000 | umol/L | 15.000000000000000 | 16.000000000000000 | 0.070000000000000 | NS | N2 | 33184875 | Inactive | ||||
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 3.000000000000000 | NS | N2 | 24134630 | Inactive | ||||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 9.000000000000000 | 17.000000000000000 | S | N2 | 24964141 | Active | |||||
| Caenorhabditis elegans | 50.000000000000000 | umol/L | 15.000000000000000 | 16.000000000000000 | 0.070000000000000 | NS | N2 | 33184875 | Inactive | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 15.000000000000000 | 17.000000000000000 | 0.130000000000000 | S | N2 | 33184875 | Active | ||||
| Caenorhabditis elegans | 120.000000000000000 | umol/L | 15.000000000000000 | 14.000000000000000 | -0.070000000000000 | NS | N2 | 33184875 | Inactive |
Experimental Data Visualization
Caffeic acid phenethyl ester
Statistics Data
Caffeic acid phenethyl ester
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 9.000000000000000 | 17.000000000000000 | 4 | 8 |
Statistics Data Visualization
Caffeic acid phenethyl ester
