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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamic acids and derivatives (267)
Phenylpropanoic acids (166)
Coumarins and derivatives (82)
Depsides and depsidones (53)
Stilbenes (19)
Flavonoids (13)
Isocoumarins and derivatives (9)
Linear 1 3-diarylpropanoids (4)
Neoflavonoids (2)
Ochratoxins and related substances (1)

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2

phyproof™ trans-Cinnamic acid, ≥98% (HPLC), MilliporeSigma™ Supelco™

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

3

trans-Cinnamic Acid, Analytical Standard, ≥98.0% (HPLC), MilliporeSigma™ Supelco™

trans-Cinnamic acid occurs in plants, formed via deamination of L-phenylalanine in the presence of enzymatic catalyst, L-phenylalanine ammonia-lyase.

4

Hydrocinnamic acid, 99%

CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

PubChem CID 107
CAS 501-52-0
Molecular Weight (g/mol) 150.18
ChEBI CHEBI:28631
MDL Number MFCD00002771
SMILES C1=CC=C(C=C1)CCC(=O)O
Synonym hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name 3-phenylpropanoic acid
InChI Key XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula C9H10O2
5

(+/-)-Phenylsuccinic acid, 98%

CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

PubChem CID 95459
CAS 635-51-8
Molecular Weight (g/mol) 194.186
MDL Number MFCD00004256
SMILES C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name 2-phenylbutanedioic acid
InChI Key LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula C10H10O4
6

Acetylsalicylsalicylic acid, 97%

CAS: 530-75-6 Molecular Formula: C16H12O6 Molecular Weight (g/mol): 300.26 MDL Number: MFCD00143537 InChI Key: DDSFKIFGAPZBSR-UHFFFAOYSA-N Synonym: 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester PubChem CID: 10745 IUPAC Name: 2-(2-acetyloxybenzoyl)oxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O

PubChem CID 10745
CAS 530-75-6
Molecular Weight (g/mol) 300.26
MDL Number MFCD00143537
SMILES CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O
Synonym 2-2-acetoxybenzoyl oxy benzoic acid,acetylsalicylsalicylic acid,acesalum,acetylsalicylsalicyic acid,diplosal acetate,unii-vbe72mcp5l,2-carboxyphenyl 2-acetyloxy benzoate,diplosalsalate,ccris 1740,benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester
IUPAC Name 2-(2-acetyloxybenzoyl)oxybenzoic acid
InChI Key DDSFKIFGAPZBSR-UHFFFAOYSA-N
Molecular Formula C16H12O6
7

4-Hydroxy-3-methoxycinnamic acid, Mixture of isomers, ≥99.0% (HPLC), MilliporeSigma™ Supelco™

4-Hydroxy-3-methoxycinnamic acid is a ubiquitous plant constituent primarily occurring in seeds and leaves. It arises from the metabolism of phenylalanine and tyrosine.

8

DL-Phenylsuccinic acid, 98+%

CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

PubChem CID 95459
CAS 635-51-8
Molecular Weight (g/mol) 194.19
MDL Number MFCD00004256
SMILES C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name 2-phenylbutanedioic acid
InChI Key LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula C10H10O4
9

3,4-Dichlorocinnamic acid, 97%

CAS: 1202-39-7 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004385 InChI Key: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonym: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid PubChem CID: 688027 IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl

PubChem CID 688027
CAS 1202-39-7
Molecular Weight (g/mol) 217.045
MDL Number MFCD00004385
SMILES C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
Synonym 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid
IUPAC Name (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid
InChI Key RRLUFPHCTSFKNR-DUXPYHPUSA-N
Molecular Formula C9H6Cl2O2
10

4-Fluorocinnamic acid, 98+%

CAS: 459-32-5 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.151 MDL Number: MFCD00004395 InChI Key: ISMMYAZSUSYVQG-ZZXKWVIFSA-N Synonym: 4-fluorocinnamic acid,e-3-4-fluorophenyl acrylic acid,2e-3-4-fluorophenyl prop-2-enoic acid,p-fluorocinnamic acid,3-4-fluorophenyl acrylic acid,e-p-fluorocinnamic acid,trans-4-fluorocinnamic acid,p-fluoro cinnamic acid,3-4-fluorophenyl prop-2-enoic acid,2-propenoic acid, 3-4-fluorophenyl-, 2e PubChem CID: 1530234 IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)F

PubChem CID 1530234
CAS 459-32-5
Molecular Weight (g/mol) 166.151
MDL Number MFCD00004395
SMILES C1=CC(=CC=C1C=CC(=O)O)F
Synonym 4-fluorocinnamic acid,e-3-4-fluorophenyl acrylic acid,2e-3-4-fluorophenyl prop-2-enoic acid,p-fluorocinnamic acid,3-4-fluorophenyl acrylic acid,e-p-fluorocinnamic acid,trans-4-fluorocinnamic acid,p-fluoro cinnamic acid,3-4-fluorophenyl prop-2-enoic acid,2-propenoic acid, 3-4-fluorophenyl-, 2e
IUPAC Name (E)-3-(4-fluorophenyl)prop-2-enoic acid
InChI Key ISMMYAZSUSYVQG-ZZXKWVIFSA-N
Molecular Formula C9H7FO2
11

4-Phenylcinnamic acid, 98%

CAS: 13026-23-8 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00014010 InChI Key: DMJDEZUEYXVYNO-FLIBITNWSA-N Synonym: 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid PubChem CID: 5842785 IUPAC Name: (E)-3-(4-phenylphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1

PubChem CID 5842785
CAS 13026-23-8
Molecular Weight (g/mol) 224.26
MDL Number MFCD00014010
SMILES OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1
Synonym 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid
IUPAC Name (E)-3-(4-phenylphenyl)prop-2-enoic acid
InChI Key DMJDEZUEYXVYNO-FLIBITNWSA-N
Molecular Formula C15H12O2
12

4-Fluorocinnamic acid, 99%

CAS: 459-32-5 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00004395 InChI Key: ISMMYAZSUSYVQG-ZZXKWVIFSA-N Synonym: 4-fluorocinnamic acid,e-3-4-fluorophenyl acrylic acid,2e-3-4-fluorophenyl prop-2-enoic acid,p-fluorocinnamic acid,3-4-fluorophenyl acrylic acid,e-p-fluorocinnamic acid,trans-4-fluorocinnamic acid,p-fluoro cinnamic acid,3-4-fluorophenyl prop-2-enoic acid,2-propenoic acid, 3-4-fluorophenyl-, 2e PubChem CID: 1530234 IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)F

PubChem CID 1530234
CAS 459-32-5
Molecular Weight (g/mol) 166.15
MDL Number MFCD00004395
SMILES C1=CC(=CC=C1C=CC(=O)O)F
Synonym 4-fluorocinnamic acid,e-3-4-fluorophenyl acrylic acid,2e-3-4-fluorophenyl prop-2-enoic acid,p-fluorocinnamic acid,3-4-fluorophenyl acrylic acid,e-p-fluorocinnamic acid,trans-4-fluorocinnamic acid,p-fluoro cinnamic acid,3-4-fluorophenyl prop-2-enoic acid,2-propenoic acid, 3-4-fluorophenyl-, 2e
IUPAC Name (E)-3-(4-fluorophenyl)prop-2-enoic acid
InChI Key ISMMYAZSUSYVQG-ZZXKWVIFSA-N
Molecular Formula C9H7FO2
13

(+/-)-3-Phenyllactic acid, 98+%

CAS: 828-01-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00065928 InChI Key: VOXXWSYKYCBWHO-UHFFFAOYSA-N Synonym: dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid PubChem CID: 3848 ChEBI: CHEBI:25998 IUPAC Name: 2-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

PubChem CID 3848
CAS 828-01-3
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:25998
MDL Number MFCD00065928
SMILES C1=CC=C(C=C1)CC(C(=O)O)O
Synonym dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid
IUPAC Name 2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-UHFFFAOYSA-N
Molecular Formula C9H10O3
14

(+/-)-2-Phenylpropionic acid, 98%

CAS: 492-37-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002650 InChI Key: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonym: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid PubChem CID: 10296 ChEBI: CHEBI:48526 IUPAC Name: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 10296
CAS 492-37-5
Molecular Weight (g/mol) 150.177
ChEBI CHEBI:48526
MDL Number MFCD00002650
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid
IUPAC Name 2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-UHFFFAOYSA-N
Molecular Formula C9H10O2
15

3-Phenylpropionic acid, 99%

CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

PubChem CID 107
CAS 501-52-0
Molecular Weight (g/mol) 150.177
ChEBI CHEBI:28631
MDL Number MFCD00002771
SMILES C1=CC=C(C=C1)CCC(=O)O
Synonym hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name 3-phenylpropanoic acid
InChI Key XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula C9H10O2