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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 (942)
Flavonoids (930)
Linear 1 3-diarylpropanoids (797)
Coumarins and derivatives (717)
Depsides and depsidones (521)
Phenylpropanoic acids (342)
Isoflavonoids (222)
Cinnamaldehydes (133)
Stilbenes (111)
Macrolide lactams (92)
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Cinnamyl alcohols (60)
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Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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196 – 210 of 4,459 results
196

5,7-Dihydroxy-4'-methoxyisoflavone, 98%

CAS: 491-80-5 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD00006839 InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N Synonym: biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl PubChem CID: 5280373 ChEBI: CHEBI:17574 IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280373
CAS 491-80-5
Molecular Weight (g/mol) 284.27
ChEBI CHEBI:17574
MDL Number MFCD00006839
SMILES COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl
IUPAC Name 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
InChI Key WUADCCWRTIWANL-UHFFFAOYSA-N
Molecular Formula C16H12O5
197

Puerarin, 98%

CAS: 3681-99-0 Molecular Formula: C21H20O9 Molecular Weight (g/mol): 416.38 MDL Number: MFCD00063399 InChI Key: HKEAFJYKMMKDOR-VPRICQMDSA-N Synonym: 8-beta-d-glucopyranosyl-4',7-dihydroxyisoflavone PubChem CID: 53384442 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1

PubChem CID 53384442
CAS 3681-99-0
Molecular Weight (g/mol) 416.38
MDL Number MFCD00063399
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1
Synonym 8-beta-d-glucopyranosyl-4',7-dihydroxyisoflavone
IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
InChI Key HKEAFJYKMMKDOR-VPRICQMDSA-N
Molecular Formula C21H20O9
198

Genistin, 99+%, Thermo Scientific Chemicals

CAS: 529-59-9 Molecular Formula: C21H20O10 Molecular Weight (g/mol): 432.381 MDL Number: MFCD00016883 InChI Key: ZCOLJUOHXJRHDI-CMWLGVBASA-N Synonym: genistin,genistine,genisteol 7-monoglucoside,genistoside,genistein 7-glucoside,glucosyl-7-genistein,genistein 7-o-beta-d-glucoside,unii-1pog3scn5t,genistein glucoside,genistein-7-glucoside PubChem CID: 5281377 ChEBI: CHEBI:27514 IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O

PubChem CID 5281377
CAS 529-59-9
Molecular Weight (g/mol) 432.381
ChEBI CHEBI:27514
MDL Number MFCD00016883
SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Synonym genistin,genistine,genisteol 7-monoglucoside,genistoside,genistein 7-glucoside,glucosyl-7-genistein,genistein 7-o-beta-d-glucoside,unii-1pog3scn5t,genistein glucoside,genistein-7-glucoside
IUPAC Name 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI Key ZCOLJUOHXJRHDI-CMWLGVBASA-N
Molecular Formula C21H20O10
199
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Daidzin, 98%

CAS: 552-66-9 Molecular Formula: C21H20O9 Molecular Weight (g/mol): 416.38 MDL Number: MFCD00017466 InChI Key: KYQZWONCHDNPDP-QNDFHXLGSA-N Synonym: daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside PubChem CID: 107971 ChEBI: CHEBI:42202 IUPAC Name: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

PubChem CID 107971
CAS 552-66-9
Molecular Weight (g/mol) 416.38
ChEBI CHEBI:42202
MDL Number MFCD00017466
SMILES OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Synonym daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside
IUPAC Name 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI Key KYQZWONCHDNPDP-QNDFHXLGSA-N
Molecular Formula C21H20O9
200
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Benzoin Methyl Ether, Spectrum™ Chemical
SDP

CAS: 3524-62-7

CAS 3524-62-7
201
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trans-2-Hydroxycinnamic acid, 98+%

CAS: 614-60-8 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004379 InChI Key: PMOWTIHVNWZYFI-AATRIKPKSA-N Synonym: 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid PubChem CID: 637540 ChEBI: CHEBI:18125 IUPAC Name: (E)-3-(2-hydroxyphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1O

PubChem CID 637540
CAS 614-60-8
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:18125
MDL Number MFCD00004379
SMILES OC(=O)\C=C\C1=CC=CC=C1O
Synonym 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid
IUPAC Name (E)-3-(2-hydroxyphenyl)prop-2-enoic acid
InChI Key PMOWTIHVNWZYFI-AATRIKPKSA-N
Molecular Formula C9H8O3
202
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p-Hydroxycinnamic acid, 98%, predominantly trans

CAS: 501-98-4 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004399 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O

PubChem CID 637542
CAS 501-98-4
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:32374
MDL Number MFCD00004399
SMILES C1=CC(=CC=C1C=CC(=O)O)O
Synonym p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid
IUPAC Name (E)-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI Key NGSWKAQJJWESNS-ZZXKWVIFSA-N
Molecular Formula C9H8O3
204
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4-Isopropylcinnamic acid, predominantly trans, 98+%

CAS: 3368-21-6 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00016544 InChI Key: SJDOOXOUSJDYFE-VMPITWQZSA-N Synonym: 4-isopropylcinnamic acid,3-4-isopropylphenyl acrylic acid,p-isopropylcinnamic acid,2e-3-4-isopropylphenyl acrylic acid,cinnamic acid, p-isopropyl,2-propenoic acid, 3-4-1-methylethyl phenyl,2e-3-4-propan-2-yl phenyl prop-2-enoic acid,e-3-4-isopropylphenyl acrylic acid,e-3-4-isopropyl-phenyl-acrylic acid,2e-3-4-isopropylphenyl prop-2-enoic acid PubChem CID: 719753 IUPAC Name: (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid SMILES: CC(C)C1=CC=C(\C=C\C(O)=O)C=C1

PubChem CID 719753
CAS 3368-21-6
Molecular Weight (g/mol) 190.24
MDL Number MFCD00016544
SMILES CC(C)C1=CC=C(\C=C\C(O)=O)C=C1
Synonym 4-isopropylcinnamic acid,3-4-isopropylphenyl acrylic acid,p-isopropylcinnamic acid,2e-3-4-isopropylphenyl acrylic acid,cinnamic acid, p-isopropyl,2-propenoic acid, 3-4-1-methylethyl phenyl,2e-3-4-propan-2-yl phenyl prop-2-enoic acid,e-3-4-isopropylphenyl acrylic acid,e-3-4-isopropyl-phenyl-acrylic acid,2e-3-4-isopropylphenyl prop-2-enoic acid
IUPAC Name (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
InChI Key SJDOOXOUSJDYFE-VMPITWQZSA-N
Molecular Formula C12H14O2
205
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4-Methylcinnamic acid, predominantly trans, 99%

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
206
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3-(Trifluoromethyl)cinnamic acid, predominantly trans, 98+%

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
207
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4-Chlorocinnamamide, 97%

CAS: 18166-64-8 Molecular Formula: C9H8ClNO Molecular Weight (g/mol): 181.62 MDL Number: MFCD00017147 InChI Key: PWXPFYVNYKVJBW-ZZXKWVIFSA-N Synonym: 4-chlorocinnamamide,p-chlorocinnamamide,2e-3-4-chlorophenyl prop-2-enamide,3-4-chlorophenyl acrylamide,p-chlorocinnamide,4-chlorocinnamide,trans,4-chlorobenzeneacrylamide,2e-3-4-chlorophenyl acrylamide,e-3-4-chlorophenyl prop-2-enamide PubChem CID: 5364144 IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enamide SMILES: NC(=O)\C=C\C1=CC=C(Cl)C=C1

PubChem CID 5364144
CAS 18166-64-8
Molecular Weight (g/mol) 181.62
MDL Number MFCD00017147
SMILES NC(=O)\C=C\C1=CC=C(Cl)C=C1
Synonym 4-chlorocinnamamide,p-chlorocinnamamide,2e-3-4-chlorophenyl prop-2-enamide,3-4-chlorophenyl acrylamide,p-chlorocinnamide,4-chlorocinnamide,trans,4-chlorobenzeneacrylamide,2e-3-4-chlorophenyl acrylamide,e-3-4-chlorophenyl prop-2-enamide
IUPAC Name (E)-3-(4-chlorophenyl)prop-2-enamide
InChI Key PWXPFYVNYKVJBW-ZZXKWVIFSA-N
Molecular Formula C9H8ClNO
208
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p-Methoxycinnamic acid, 98%, predominantly trans

CAS: 830-09-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 699414
CAS 830-09-1
Molecular Weight (g/mol) 178.19
MDL Number MFCD00004398
SMILES COC1=CC=C(C=C1)C=CC(=O)O
Synonym 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI Key AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula C10H10O3
209
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3,4,5-Trimethoxycinnamic acid, predominantly trans, 99%

CAS: 90-50-6 Molecular Formula: C12H14O5 Molecular Weight (g/mol): 238.239 MDL Number: MFCD00004388 InChI Key: YTFVRYKNXDADBI-SNAWJCMRSA-N Synonym: 3,4,5-trimethoxycinnamic acid,o-methylsinapic acid,3,4,5-trimethoxyphenylacrylic acid,3-3,4,5-trimethoxyphenyl acrylic acid,3-3,4,5-trimethoxyphenyl-2-propenoic acid,3,4,5-trimethoxy cinnamic acid,sinapic acid methyl ether,e-3-3,4,5-trimethoxyphenyl acrylic acid,cinnamic acid, 3,4,5-trimethoxy,2e-3-3,4,5-trimethoxyphenyl acrylic acid PubChem CID: 735755 IUPAC Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)O

PubChem CID 735755
CAS 90-50-6
Molecular Weight (g/mol) 238.239
MDL Number MFCD00004388
SMILES COC1=CC(=CC(=C1OC)OC)C=CC(=O)O
Synonym 3,4,5-trimethoxycinnamic acid,o-methylsinapic acid,3,4,5-trimethoxyphenylacrylic acid,3-3,4,5-trimethoxyphenyl acrylic acid,3-3,4,5-trimethoxyphenyl-2-propenoic acid,3,4,5-trimethoxy cinnamic acid,sinapic acid methyl ether,e-3-3,4,5-trimethoxyphenyl acrylic acid,cinnamic acid, 3,4,5-trimethoxy,2e-3-3,4,5-trimethoxyphenyl acrylic acid
IUPAC Name (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
InChI Key YTFVRYKNXDADBI-SNAWJCMRSA-N
Molecular Formula C12H14O5
210
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trans-4-Hydroxy-3-methoxycinnamic acid, 99%

CAS: 537-98-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(\C=C\C(O)=O)=CC=C1O

PubChem CID 445858
CAS 537-98-4
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:17620
MDL Number MFCD00004400
SMILES COC1=CC(\C=C\C(O)=O)=CC=C1O
Synonym ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl
IUPAC Name (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
InChI Key KSEBMYQBYZTDHS-HWKANZROSA-N
Molecular Formula C10H10O4