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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 (918)
Cinnamic acids and derivatives (910)
Coumarins and derivatives (706)
Linear 1 3-diarylpropanoids (505)
Depsides and depsidones (366)
Phenylpropanoic acids (332)
Isoflavonoids (210)
Cinnamaldehydes (129)
Stilbenes (105)
Macrolide lactams (94)
Anthracyclines (90)
Macrolides and analogues (75)
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Cinnamyl alcohols (60)
Isocoumarins and derivatives (29)
Macrolactams (22)
Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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61 – 75 of 3,923 results
61

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
62

trans-Cinnamaldehyde 98.0+%, TCI America™

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 IUPAC Name: (2E)-3-phenylprop-2-enal SMILES: O=C\C=C\C1=CC=CC=C1

PubChem CID 637511
CAS 14371-10-9
Molecular Weight (g/mol) 132.16
ChEBI CHEBI:16731
MDL Number MFCD00007000
SMILES O=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
IUPAC Name (2E)-3-phenylprop-2-enal
InChI Key KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Molecular Formula C9H8O
63

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
64

Umbelliferone 98.0+%, TCI America™

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC Name: 7-hydroxy-2H-chromen-2-one SMILES: OC1=CC=C2C=CC(=O)OC2=C1

PubChem CID 5281426
CAS 93-35-6
Molecular Weight (g/mol) 162.14
ChEBI CHEBI:27510
MDL Number MFCD00006878
SMILES OC1=CC=C2C=CC(=O)OC2=C1
Synonym 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
IUPAC Name 7-hydroxy-2H-chromen-2-one
InChI Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula C9H6O3
65

6-Methylcoumarin, 99%

CAS: 92-48-8 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00006875 InChI Key: FXFYOPQLGGEACP-UHFFFAOYSA-N Synonym: 6-methylcoumarin,6-methylbenzopyrone,6-methyl-2h-chromen-2-one,toncarine,6-methyl coumarin,methyl coumarin,6-methylcoumarinic anhydride,coumarin, 6-methyl,6-methyl-1,2-benzopyrone,6-methylcumarin PubChem CID: 7092 ChEBI: CHEBI:563586 IUPAC Name: 6-methylchromen-2-one SMILES: CC1=CC=C2OC(=O)C=CC2=C1

PubChem CID 7092
CAS 92-48-8
Molecular Weight (g/mol) 160.17
ChEBI CHEBI:563586
MDL Number MFCD00006875
SMILES CC1=CC=C2OC(=O)C=CC2=C1
Synonym 6-methylcoumarin,6-methylbenzopyrone,6-methyl-2h-chromen-2-one,toncarine,6-methyl coumarin,methyl coumarin,6-methylcoumarinic anhydride,coumarin, 6-methyl,6-methyl-1,2-benzopyrone,6-methylcumarin
IUPAC Name 6-methylchromen-2-one
InChI Key FXFYOPQLGGEACP-UHFFFAOYSA-N
Molecular Formula C10H8O2
66

Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
67

3-Phenylpropionic Acid 98.0+%, TCI America™

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
68

1,3-Diphenyl-1,3-propanedione 98.0+%, TCI America™

CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

PubChem CID 8433
CAS 120-46-7
Molecular Weight (g/mol) 224.259
ChEBI CHEBI:75417
MDL Number MFCD00003085
SMILES C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Synonym dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc
IUPAC Name 1,3-diphenylpropane-1,3-dione
InChI Key NZZIMKJIVMHWJC-UHFFFAOYSA-N
Molecular Formula C15H12O2
69

trans-o-Coumaric Acid 98.0+%, TCI America™

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: (2E)-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 (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
InChI Key PMOWTIHVNWZYFI-AATRIKPKSA-N
Molecular Formula C9H8O3
70

6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid, ≥95%, Thermo Scientific™

CAS: 2199-86-2 Molecular Formula: C10H4Cl2O4 Molecular Weight (g/mol): 259.038 MDL Number: MFCD00047641 InChI Key: WJEHZKIVHXRVSR-UHFFFAOYSA-N Synonym: 6,8-dichloro-2-oxo-2h-chromene-3-carboxylic acid,2h-1-benzopyran-3-carboxylicacid, 6,8-dichloro-2-oxo,2h-1-benzopyran-3-carboxylic acid, 6,8-dichloro-2-oxo,opera_id_158,maybridge1_000531,6,8-dichlorocoumarin-3-carboxylic acid,2-oxo-6,8-dichloro-2h-1-benzopyran-3-carboxylic acid PubChem CID: 657910 IUPAC Name: 6,8-dichloro-2-oxochromene-3-carboxylic acid SMILES: C1=C2C=C(C(=O)OC2=C(C=C1Cl)Cl)C(=O)O

PubChem CID 657910
CAS 2199-86-2
Molecular Weight (g/mol) 259.038
MDL Number MFCD00047641
SMILES C1=C2C=C(C(=O)OC2=C(C=C1Cl)Cl)C(=O)O
Synonym 6,8-dichloro-2-oxo-2h-chromene-3-carboxylic acid,2h-1-benzopyran-3-carboxylicacid, 6,8-dichloro-2-oxo,2h-1-benzopyran-3-carboxylic acid, 6,8-dichloro-2-oxo,opera_id_158,maybridge1_000531,6,8-dichlorocoumarin-3-carboxylic acid,2-oxo-6,8-dichloro-2h-1-benzopyran-3-carboxylic acid
IUPAC Name 6,8-dichloro-2-oxochromene-3-carboxylic acid
InChI Key WJEHZKIVHXRVSR-UHFFFAOYSA-N
Molecular Formula C10H4Cl2O4
71

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
72

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
73

3,4,9,10-Perylenetetracarboxylic dianhydride, 98%

CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.32 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride PubChem CID: 67191 IUPAC Name: 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56

PubChem CID 67191
CAS 128-69-8
Molecular Weight (g/mol) 392.32
MDL Number MFCD00006916
SMILES O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56
Synonym 3,4,9,10-perylenetetracarboxylic dianhydride,pigment red 224,ptcda,perylene-3,4,9,10-tetracarboxylic dianhydride,perylenetetracarboxylic anhydride,anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone,perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone,perylenetetracarboxylic acid dianhydride,3,4:9,10-perylenetetracarboxylic anhydride
IUPAC Name 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
InChI Key CLYVDMAATCIVBF-UHFFFAOYSA-N
Molecular Formula C24H8O6
74

3,5,7-Trihydroxyflavone, 97%

CAS: 548-83-4 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00006833 InChI Key: VCCRNZQBSJXYJD-UHFFFAOYSA-N Synonym: galangin,norizalpinin,3,5,7-trihydroxyflavone,3,5,7-trihydroxy-2-phenyl-4h-chromen-4-one,3,5,7-trioh-flavone,unii-142fwe6ecs,3,5,7-trihydroxy-2-phenyl-4-benzopyrone,4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl,flavone, 3,5,7-trihydroxy,4h-benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl PubChem CID: 5281616 ChEBI: CHEBI:5262 IUPAC Name: 3,5,7-trihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

PubChem CID 5281616
CAS 548-83-4
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:5262
MDL Number MFCD00006833
SMILES C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Synonym galangin,norizalpinin,3,5,7-trihydroxyflavone,3,5,7-trihydroxy-2-phenyl-4h-chromen-4-one,3,5,7-trioh-flavone,unii-142fwe6ecs,3,5,7-trihydroxy-2-phenyl-4-benzopyrone,4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl,flavone, 3,5,7-trihydroxy,4h-benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl
IUPAC Name 3,5,7-trihydroxy-2-phenylchromen-4-one
InChI Key VCCRNZQBSJXYJD-UHFFFAOYSA-N
Molecular Formula C15H10O5
75

3-[4-(Methylthio)phenyl]propionic acid, 96%

CAS: 138485-81-1 Molecular Formula: C10H12O2S Molecular Weight (g/mol): 196.264 MDL Number: MFCD03425696 InChI Key: ASTVFRXZLBGVRL-UHFFFAOYSA-N PubChem CID: 3801098 IUPAC Name: 3-(4-methylsulfanylphenyl)propanoic acid SMILES: CSC1=CC=C(C=C1)CCC(=O)O

PubChem CID 3801098
CAS 138485-81-1
Molecular Weight (g/mol) 196.264
MDL Number MFCD03425696
SMILES CSC1=CC=C(C=C1)CCC(=O)O
IUPAC Name 3-(4-methylsulfanylphenyl)propanoic acid
InChI Key ASTVFRXZLBGVRL-UHFFFAOYSA-N
Molecular Formula C10H12O2S