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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.
Flavonoids (890)
Cinnamic acids and derivatives (865)
Coumarins and derivatives (685)
Linear 1 3-diarylpropanoids (472)
Phenylpropanoic acids (332)
Depsides and depsidones (304)
Isoflavonoids (206)
Cinnamaldehydes (119)
Stilbenes (105)
Macrolide lactams (84)
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Cinnamyl alcohols (60)
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Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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586 – 600 of 3,687 results
586

4-Methylcinnamic Acid 98.0+%, TCI America™

CAS: 1866-39-3 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00002697 InChI Key: RURHILYUWQEGOS-VOTSOKGWSA-N Synonym: 4-methylcinnamic acid,3-p-tolyl acrylic acid,e-3-p-tolyl acrylic acid,p-methylcinnamic acid,p-methyl cinnamic acid,2e-3-4-methylphenyl acrylic acid,2e-3-4-methylphenyl prop-2-enoic acid,4-methyl-cinnamic acid,e-3-4-methylphenyl-2-propenoic acid,3-4-methylphenyl-2-propenoic acid PubChem CID: 731767 IUPAC Name: (E)-3-(4-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 731767
CAS 1866-39-3
Molecular Weight (g/mol) 162.188
MDL Number MFCD00002697
SMILES CC1=CC=C(C=C1)C=CC(=O)O
Synonym 4-methylcinnamic acid,3-p-tolyl acrylic acid,e-3-p-tolyl acrylic acid,p-methylcinnamic acid,p-methyl cinnamic acid,2e-3-4-methylphenyl acrylic acid,2e-3-4-methylphenyl prop-2-enoic acid,4-methyl-cinnamic acid,e-3-4-methylphenyl-2-propenoic acid,3-4-methylphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-methylphenyl)prop-2-enoic acid
InChI Key RURHILYUWQEGOS-VOTSOKGWSA-N
Molecular Formula C10H10O2
587

3-(Trifluoromethyl)cinnamic Acid 99.0+%, TCI America™

CAS: 779-89-5 Molecular Formula: C10H7F3O2 Molecular Weight (g/mol): 216.159 MDL Number: MFCD00004393 InChI Key: KSBWHDDGWSYETA-SNAWJCMRSA-N Synonym: 3-trifluoromethyl cinnamic acid,3-3-trifluoromethyl phenyl acrylic acid,m-trifluoromethyl cinnamic acid,e-3-trifluoromethyl cinnamic acid,unii-p9lj9on37w,2e-3-3-trifluoromethyl phenyl prop-2-enoic acid,e-m-trifluoromethyl cinnamic acid,3-e-trifluoromethyl cinnamic acid PubChem CID: 719451 ChEBI: CHEBI:60704 IUPAC Name: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O

PubChem CID 719451
CAS 779-89-5
Molecular Weight (g/mol) 216.159
ChEBI CHEBI:60704
MDL Number MFCD00004393
SMILES C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O
Synonym 3-trifluoromethyl cinnamic acid,3-3-trifluoromethyl phenyl acrylic acid,m-trifluoromethyl cinnamic acid,e-3-trifluoromethyl cinnamic acid,unii-p9lj9on37w,2e-3-3-trifluoromethyl phenyl prop-2-enoic acid,e-m-trifluoromethyl cinnamic acid,3-e-trifluoromethyl cinnamic acid
IUPAC Name (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI Key KSBWHDDGWSYETA-SNAWJCMRSA-N
Molecular Formula C10H7F3O2
588

3-Hydroxy-4-methoxycinnamic Acid 98.0+%, TCI America™

CAS: 537-73-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004391 InChI Key: QURCVMIEKCOAJU-HWKANZROSA-N Synonym: isoferulic acid,3-hydroxy-4-methoxycinnamic acid,hesperetic acid,3-3-hydroxy-4-methoxyphenyl acrylic acid,2e-3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,isoferulate,2-propenoic acid, 3-3-hydroxy-4-methoxyphenyl,e-3-3-hydroxy-4-methoxyphenyl acrylic acid,3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,3-hydroxy-4-methoxy-cinnamic acid PubChem CID: 736186 ChEBI: CHEBI:27794 IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O

PubChem CID 736186
CAS 537-73-5
Molecular Weight (g/mol) 194.186
ChEBI CHEBI:27794
MDL Number MFCD00004391
SMILES COC1=C(C=C(C=C1)C=CC(=O)O)O
Synonym isoferulic acid,3-hydroxy-4-methoxycinnamic acid,hesperetic acid,3-3-hydroxy-4-methoxyphenyl acrylic acid,2e-3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,isoferulate,2-propenoic acid, 3-3-hydroxy-4-methoxyphenyl,e-3-3-hydroxy-4-methoxyphenyl acrylic acid,3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,3-hydroxy-4-methoxy-cinnamic acid
IUPAC Name (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
InChI Key QURCVMIEKCOAJU-HWKANZROSA-N
Molecular Formula C10H10O4
589

3-(1-Naphthyl)acrylic Acid 95.0+%, TCI America™

CAS: 13026-12-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014317,MFCD00014317 InChI Key: WPXMLUUYWNHQOR-CMDGGOBGSA-N Synonym: naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid PubChem CID: 12158295 IUPAC Name: (2E)-3-(naphthalen-1-yl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1

PubChem CID 12158295
CAS 13026-12-5
Molecular Weight (g/mol) 198.22
MDL Number MFCD00014317,MFCD00014317
SMILES OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1
Synonym naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid
IUPAC Name (2E)-3-(naphthalen-1-yl)prop-2-enoic acid
InChI Key WPXMLUUYWNHQOR-CMDGGOBGSA-N
Molecular Formula C13H10O2
590

4-Chloro-3-nitrocinnamic Acid 97.0+%, TCI America™

CAS: 20797-48-2 Molecular Formula: C9H6ClNO4 Molecular Weight (g/mol): 227.6 MDL Number: MFCD00063311 InChI Key: QBDALTIMHOITIU-DUXPYHPUSA-N Synonym: 4-chloro-3-nitrocinnamic acid,trans-4-chloro-3-nitrocinnamic acid,3-4-chloro-3-nitrophenyl acrylic acid,e-3-4-chloro-3-nitrophenyl acrylic acid,2e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,4-chloro-3-nitro-cinnamic acid,3-nitro-4-chlorocinnamic acid,qbdaltimhoitiu-duxpyhpusa,3-4-chloro-3-nitrophenyl propenoic acid PubChem CID: 688108 SMILES: C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])Cl

PubChem CID 688108
CAS 20797-48-2
Molecular Weight (g/mol) 227.6
MDL Number MFCD00063311
SMILES C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])Cl
Synonym 4-chloro-3-nitrocinnamic acid,trans-4-chloro-3-nitrocinnamic acid,3-4-chloro-3-nitrophenyl acrylic acid,e-3-4-chloro-3-nitrophenyl acrylic acid,2e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,4-chloro-3-nitro-cinnamic acid,3-nitro-4-chlorocinnamic acid,qbdaltimhoitiu-duxpyhpusa,3-4-chloro-3-nitrophenyl propenoic acid
InChI Key QBDALTIMHOITIU-DUXPYHPUSA-N
Molecular Formula C9H6ClNO4
591

3-Methylcinnamic Acid 98.0+%, TCI America™

CAS: 3029-79-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00016844 InChI Key: JZINNAKNHHQBOS-AATRIKPKSA-N Synonym: 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e PubChem CID: 2063448 ChEBI: CHEBI:61118 IUPAC Name: (E)-3-(3-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=CC(=C1)C=CC(=O)O

PubChem CID 2063448
CAS 3029-79-6
Molecular Weight (g/mol) 162.188
ChEBI CHEBI:61118
MDL Number MFCD00016844
SMILES CC1=CC=CC(=C1)C=CC(=O)O
Synonym 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e
IUPAC Name (E)-3-(3-methylphenyl)prop-2-enoic acid
InChI Key JZINNAKNHHQBOS-AATRIKPKSA-N
Molecular Formula C10H10O2
592

(1E,4E)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,4-pentadiene-3-one 95.0+%, TCI America™

CAS: 1217503-60-0 Molecular Formula: C22H24O7 Molecular Weight (g/mol): 400.427 InChI Key: SKZNJIJSGSQNJQ-CDJQDVQCSA-N Synonym: GO-Y078 PubChem CID: 46231908 IUPAC Name: (1E,4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC

PubChem CID 46231908
CAS 1217503-60-0
Molecular Weight (g/mol) 400.427
SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC
Synonym GO-Y078
IUPAC Name (1E,4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
InChI Key SKZNJIJSGSQNJQ-CDJQDVQCSA-N
Molecular Formula C22H24O7
593

4-Fluorocinnamic Acid 98.0+%, TCI America™

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
594

Tyrphostin AG 835 98.0+%, TCI America™

CAS: 133550-37-5 Molecular Formula: C18H16N2O3 Molecular Weight (g/mol): 308.337 MDL Number: MFCD00209855 InChI Key: UMGQVUWXNOJOSJ-CDCQXCROSA-N Synonym: tyrphostin b44, + enantiomer,--r-n-,a-methylbenzyl-3,4-dihydroxybenzylidenecyanoacetamide PubChem CID: 23919058 IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide SMILES: CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

PubChem CID 23919058
CAS 133550-37-5
Molecular Weight (g/mol) 308.337
MDL Number MFCD00209855
SMILES CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Synonym tyrphostin b44, + enantiomer,--r-n-,a-methylbenzyl-3,4-dihydroxybenzylidenecyanoacetamide
IUPAC Name (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
InChI Key UMGQVUWXNOJOSJ-CDCQXCROSA-N
Molecular Formula C18H16N2O3
595

trans-2,4-Dichlorocinnamic Acid 98.0+%, TCI America™

CAS: 20595-45-3 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004373 InChI Key: MEBWABJHRAYGFW-DUXPYHPUSA-N Synonym: 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid PubChem CID: 688026 IUPAC Name: (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O

PubChem CID 688026
CAS 20595-45-3
Molecular Weight (g/mol) 217.045
MDL Number MFCD00004373
SMILES C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O
Synonym 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid
IUPAC Name (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid
InChI Key MEBWABJHRAYGFW-DUXPYHPUSA-N
Molecular Formula C9H6Cl2O2
596

Phenyl Benzoate 99.0+%, TCI America™

CAS: 93-99-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00003072 InChI Key: FCJSHPDYVMKCHI-UHFFFAOYSA-N Synonym: benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210 PubChem CID: 7169 ChEBI: CHEBI:86919 IUPAC Name: phenyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

PubChem CID 7169
CAS 93-99-2
Molecular Weight (g/mol) 198.221
ChEBI CHEBI:86919
MDL Number MFCD00003072
SMILES C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Synonym benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210
IUPAC Name phenyl benzoate
InChI Key FCJSHPDYVMKCHI-UHFFFAOYSA-N
Molecular Formula C13H10O2
597

1,3-Dibenzoyloxybenzene 98.0+%, TCI America™

CAS: 94-01-9 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00016576 InChI Key: SUQGLJRNDJRARS-UHFFFAOYSA-N Synonym: 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate PubChem CID: 66742 IUPAC Name: 3-(benzoyloxy)phenyl benzoate SMILES: O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1

PubChem CID 66742
CAS 94-01-9
Molecular Weight (g/mol) 318.33
MDL Number MFCD00016576
SMILES O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1
Synonym 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate
IUPAC Name 3-(benzoyloxy)phenyl benzoate
InChI Key SUQGLJRNDJRARS-UHFFFAOYSA-N
Molecular Formula C20H14O4
598

4-Ethoxyphenyl 4-Butylbenzoate 99.0+%, TCI America™

CAS: 62716-65-8 Molecular Formula: C19H22O3 Molecular Weight (g/mol): 298.382 MDL Number: MFCD00059426 InChI Key: DDDWTNWRNNRWNQ-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-Ethoxyphenyl Ester PubChem CID: 595107 IUPAC Name: (4-ethoxyphenyl) 4-butylbenzoate SMILES: CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC

PubChem CID 595107
CAS 62716-65-8
Molecular Weight (g/mol) 298.382
MDL Number MFCD00059426
SMILES CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC
Synonym 4-Butylbenzoic Acid 4-Ethoxyphenyl Ester
IUPAC Name (4-ethoxyphenyl) 4-butylbenzoate
InChI Key DDDWTNWRNNRWNQ-UHFFFAOYSA-N
Molecular Formula C19H22O3
599

4-n-Octyloxyphenyl 4-Butylbenzoate 98.0+%, TCI America™

CAS: 42815-59-8 Molecular Formula: C25H34O3 Molecular Weight (g/mol): 382.544 MDL Number: MFCD00060084 InChI Key: DESAJRHSCPKXHK-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester PubChem CID: 19013731 IUPAC Name: (4-octoxyphenyl) 4-butylbenzoate SMILES: CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

PubChem CID 19013731
CAS 42815-59-8
Molecular Weight (g/mol) 382.544
MDL Number MFCD00060084
SMILES CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
Synonym 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester
IUPAC Name (4-octoxyphenyl) 4-butylbenzoate
InChI Key DESAJRHSCPKXHK-UHFFFAOYSA-N
Molecular Formula C25H34O3
600

4-Biphenyl Benzoate 98.0+%, TCI America™

CAS: 2170-13-0 Molecular Formula: C19H14O2 Molecular Weight (g/mol): 274.319 MDL Number: MFCD00223541 InChI Key: CINHWMYRCOGYIX-UHFFFAOYSA-N Synonym: Benzoic Acid 4-Biphenyl Ester PubChem CID: 231743 IUPAC Name: (4-phenylphenyl) benzoate SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

PubChem CID 231743
CAS 2170-13-0
Molecular Weight (g/mol) 274.319
MDL Number MFCD00223541
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
Synonym Benzoic Acid 4-Biphenyl Ester
IUPAC Name (4-phenylphenyl) benzoate
InChI Key CINHWMYRCOGYIX-UHFFFAOYSA-N
Molecular Formula C19H14O2