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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 (941)
Flavonoids (930)
Linear 1 3-diarylpropanoids (797)
Coumarins and derivatives (715)
Depsides and depsidones (521)
Phenylpropanoic acids (342)
Isoflavonoids (222)
Cinnamaldehydes (133)
Stilbenes (111)
Macrolide lactams (92)
Anthracyclines (90)
Macrolides and analogues (74)
Tetracyclines (64)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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511 – 525 of 4,456 results
511

(+/-)-Equol 98.0+%, TCI America™

CAS: 94105-90-5 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00016662 InChI Key: ADFCQWZHKCXPAJ-UHFFFAOYNA-N Synonym: 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol PubChem CID: 382975 IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol SMILES: OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2

PubChem CID 382975
CAS 94105-90-5
Molecular Weight (g/mol) 242.27
MDL Number MFCD00016662
SMILES OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
Synonym 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol
IUPAC Name 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
InChI Key ADFCQWZHKCXPAJ-UHFFFAOYNA-N
Molecular Formula C15H14O3
512

Formononetin 98.0+%, TCI America™

CAS: 485-72-3 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.27 MDL Number: MFCD00016948 InChI Key: HKQYGTCOTHHOMP-UHFFFAOYSA-N Synonym: formononetin,biochanin b,formononetol,7-hydroxy-4'-methoxyisoflavone,7-hydroxy-3-4-methoxyphenyl-4h-chromen-4-one,4'-o-methyldaidzein,7-hydroxy-3-4-methoxyphenyl chromen-4-one,unii-295dqc67bj,7-hydroxy-3-4-methoxyphenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-3-4-methoxyphenyl PubChem CID: 5280378 ChEBI: CHEBI:18088 IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O

PubChem CID 5280378
CAS 485-72-3
Molecular Weight (g/mol) 268.27
ChEBI CHEBI:18088
MDL Number MFCD00016948
SMILES COC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O
Synonym formononetin,biochanin b,formononetol,7-hydroxy-4'-methoxyisoflavone,7-hydroxy-3-4-methoxyphenyl-4h-chromen-4-one,4'-o-methyldaidzein,7-hydroxy-3-4-methoxyphenyl chromen-4-one,unii-295dqc67bj,7-hydroxy-3-4-methoxyphenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-3-4-methoxyphenyl
IUPAC Name 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
InChI Key HKQYGTCOTHHOMP-UHFFFAOYSA-N
Molecular Formula C16H12O4
513

Ononin 97.0+%, TCI America™

CAS: 486-62-4 Molecular Formula: C22H22O9 Molecular Weight (g/mol): 430.409 MDL Number: MFCD00017464 InChI Key: MGJLSBDCWOSMHL-MIUGBVLSSA-N Synonym: Formononetin 7-O-beta-D-glucopyranoside PubChem CID: 442813 ChEBI: CHEBI:7775 IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O

PubChem CID 442813
CAS 486-62-4
Molecular Weight (g/mol) 430.409
ChEBI CHEBI:7775
MDL Number MFCD00017464
SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O
Synonym Formononetin 7-O-beta-D-glucopyranoside
IUPAC Name 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI Key MGJLSBDCWOSMHL-MIUGBVLSSA-N
Molecular Formula C22H22O9
514

4-Aminophenyl 4-Aminobenzoate 97.0+%, TCI America™

CAS: 20610-77-9 Molecular Formula: C13H12N2O2 Molecular Weight (g/mol): 228.25 MDL Number: MFCD16038468 InChI Key: LOCTYHIHNCOYJZ-UHFFFAOYSA-N Synonym: 4-Aminobenzoic Acid 4-Aminophenyl Ester PubChem CID: 15491725 IUPAC Name: 4-aminophenyl 4-aminobenzoate SMILES: NC1=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1

PubChem CID 15491725
CAS 20610-77-9
Molecular Weight (g/mol) 228.25
MDL Number MFCD16038468
SMILES NC1=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1
Synonym 4-Aminobenzoic Acid 4-Aminophenyl Ester
IUPAC Name 4-aminophenyl 4-aminobenzoate
InChI Key LOCTYHIHNCOYJZ-UHFFFAOYSA-N
Molecular Formula C13H12N2O2
515

4-tert-Butylphenyl Salicylate 98.0+%, TCI America™

CAS: 87-18-3 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.328 MDL Number: MFCD00045759 InChI Key: DBOSBRHMHBENLP-UHFFFAOYSA-N Synonym: Salicylic Acid 4-tert-Butylphenyl Ester PubChem CID: 66597 IUPAC Name: (4-tert-butylphenyl) 2-hydroxybenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 66597
CAS 87-18-3
Molecular Weight (g/mol) 270.328
MDL Number MFCD00045759
SMILES CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym Salicylic Acid 4-tert-Butylphenyl Ester
IUPAC Name (4-tert-butylphenyl) 2-hydroxybenzoate
InChI Key DBOSBRHMHBENLP-UHFFFAOYSA-N
Molecular Formula C17H18O3
516

4-Cyanophenyl 4-Heptylbenzoate 98.0+%, TCI America™

CAS: 38690-76-5 Molecular Formula: C21H23NO2 Molecular Weight (g/mol): 321.42 MDL Number: MFCD00001817 InChI Key: ZWAUTNYPKHVAEZ-UHFFFAOYSA-N Synonym: 4-Heptylbenzoic Acid 4-Cyanophenyl Ester PubChem CID: 170097 IUPAC Name: (4-cyanophenyl) 4-heptylbenzoate SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

PubChem CID 170097
CAS 38690-76-5
Molecular Weight (g/mol) 321.42
MDL Number MFCD00001817
SMILES CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
Synonym 4-Heptylbenzoic Acid 4-Cyanophenyl Ester
IUPAC Name (4-cyanophenyl) 4-heptylbenzoate
InChI Key ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
Molecular Formula C21H23NO2
517

cis-2-Methoxycinnamic Acid 98.0+%, TCI America™

CAS: 14737-91-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00004375 InChI Key: FEGVSPGUHMGGBO-SREVYHEPSA-N Synonym: cis-O-Methyl-o-coumaric Acid, cis-O-Methyl-o-cumaric Acid PubChem CID: 1622530 IUPAC Name: (Z)-3-(2-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC=C1C=CC(=O)O

PubChem CID 1622530
CAS 14737-91-8
Molecular Weight (g/mol) 178.187
MDL Number MFCD00004375
SMILES COC1=CC=CC=C1C=CC(=O)O
Synonym cis-O-Methyl-o-coumaric Acid, cis-O-Methyl-o-cumaric Acid
IUPAC Name (Z)-3-(2-methoxyphenyl)prop-2-enoic acid
InChI Key FEGVSPGUHMGGBO-SREVYHEPSA-N
Molecular Formula C10H10O3
518

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
519

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
520

2-(Trifluoromethyl)cinnamic Acid 98.0+%, TCI America™

CAS: 2062-25-1 Molecular Formula: C10H7F3O2 Molecular Weight (g/mol): 216.16 MDL Number: MFCD00004381 InChI Key: AMVYAIXPAGBXOM-AATRIKPKSA-N Synonym: 2-trifluoromethyl cinnamic acid,o-trifluoromethyl cinnamic acid,2-trifluoromethylcinnamic acid,e-3-2-trifluoromethyl phenyl acrylic acid,2e-3-2-trifluoromethyl phenyl prop-2-enoic acid,3-2-trifluoromethyl phenyl acrylic acid,2e-3-2-trifluoroformyl phenyl acrylic acid,e-2-trifluoromethyl cinnamic acid,3-2-trifluoromethyl-phenyl-acrylic acid PubChem CID: 719625 ChEBI: CHEBI:60703 IUPAC Name: (2E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1C(F)(F)F

PubChem CID 719625
CAS 2062-25-1
Molecular Weight (g/mol) 216.16
ChEBI CHEBI:60703
MDL Number MFCD00004381
SMILES OC(=O)\C=C\C1=CC=CC=C1C(F)(F)F
Synonym 2-trifluoromethyl cinnamic acid,o-trifluoromethyl cinnamic acid,2-trifluoromethylcinnamic acid,e-3-2-trifluoromethyl phenyl acrylic acid,2e-3-2-trifluoromethyl phenyl prop-2-enoic acid,3-2-trifluoromethyl phenyl acrylic acid,2e-3-2-trifluoroformyl phenyl acrylic acid,e-2-trifluoromethyl cinnamic acid,3-2-trifluoromethyl-phenyl-acrylic acid
IUPAC Name (2E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI Key AMVYAIXPAGBXOM-AATRIKPKSA-N
Molecular Formula C10H7F3O2
521

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
522

3-Nitrocinnamic Acid 98.0+%, TCI America™

CAS: 555-68-0 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 MDL Number: MFCD00007277 InChI Key: WWXMVRYHLZMQIG-SNAWJCMRSA-N Synonym: 3-nitrocinnamic acid,m-nitrocinnamic acid,3-nitro-cinnamic acid,cinnamic acid, m-nitro,trans-3-nitrocinnamic acid,3-nitrobenzenepropenoic acid,e-3-3-nitrophenyl-2-propenoic acid,2e-3-3-nitrophenyl prop-2-enoic acid,2e-3-3-nitrophenyl acrylic acid,unii-z5wu65j930 PubChem CID: 687126 ChEBI: CHEBI:60706 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)O

PubChem CID 687126
CAS 555-68-0
Molecular Weight (g/mol) 193.158
ChEBI CHEBI:60706
MDL Number MFCD00007277
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)O
Synonym 3-nitrocinnamic acid,m-nitrocinnamic acid,3-nitro-cinnamic acid,cinnamic acid, m-nitro,trans-3-nitrocinnamic acid,3-nitrobenzenepropenoic acid,e-3-3-nitrophenyl-2-propenoic acid,2e-3-3-nitrophenyl prop-2-enoic acid,2e-3-3-nitrophenyl acrylic acid,unii-z5wu65j930
InChI Key WWXMVRYHLZMQIG-SNAWJCMRSA-N
Molecular Formula C9H7NO4
523

2,4-Dimethoxy-beta-methylcinnamic Acid 98.0+%, TCI America™

CAS: 7706-67-4 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00512029 InChI Key: VNLOISSPTMDCIF-SOFGYWHQSA-N Synonym: 3-(2,4-Dimethoxyphenyl)-2-butenoic Acid PubChem CID: 6445007 IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid SMILES: CC(=CC(=O)O)C1=C(C=C(C=C1)OC)OC

PubChem CID 6445007
CAS 7706-67-4
Molecular Weight (g/mol) 222.24
MDL Number MFCD00512029
SMILES CC(=CC(=O)O)C1=C(C=C(C=C1)OC)OC
Synonym 3-(2,4-Dimethoxyphenyl)-2-butenoic Acid
IUPAC Name (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid
InChI Key VNLOISSPTMDCIF-SOFGYWHQSA-N
Molecular Formula C12H14O4
524

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
525

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