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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 (576)
Coumarins and derivatives (522)
Flavonoids (501)
Phenylpropanoic acids (307)
Linear 1 3-diarylpropanoids (278)
Depsides and depsidones (167)
Isoflavonoids (111)
Cinnamaldehydes (103)
Stilbenes (95)
Anthracyclines (48)
Macrolide lactams (47)
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Isocoumarins and derivatives (33)
Cinnamyl alcohols (31)
Dihydrocoumarins (12)
Macrolactams (11)
Ochratoxins and related substances (11)
Neoflavonoids (5)
Angucyclines (1)

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106 – 120 of 2,212 results
106

Esculetin 98.0+%, TCI America™
SDP

CAS: 305-01-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00006874 InChI Key: ILEDWLMCKZNDJK-UHFFFAOYSA-N Synonym: esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon PubChem CID: 5281416 ChEBI: CHEBI:490095 IUPAC Name: 6,7-dihydroxychromen-2-one SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O

PubChem CID 5281416
CAS 305-01-1
Molecular Weight (g/mol) 178.143
ChEBI CHEBI:490095
MDL Number MFCD00006874
SMILES C1=CC(=O)OC2=CC(=C(C=C21)O)O
Synonym esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon
IUPAC Name 6,7-dihydroxychromen-2-one
InChI Key ILEDWLMCKZNDJK-UHFFFAOYSA-N
Molecular Formula C9H6O4
107

Naringenin 93.0+%, TCI America™
SDP

CAS: 67604-48-2 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.256 MDL Number: MFCD00006844 InChI Key: FTVWIRXFELQLPI-UHFFFAOYSA-N Synonym: naringenin,5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,naringenine,4',5,7-trihydroxyflavanone,+/--naringenin,naringetol,salipurpol,--naringenin,narigenin,salipurol PubChem CID: 932 ChEBI: CHEBI:50202 IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

PubChem CID 932
CAS 67604-48-2
Molecular Weight (g/mol) 272.256
ChEBI CHEBI:50202
MDL Number MFCD00006844
SMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Synonym naringenin,5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,naringenine,4',5,7-trihydroxyflavanone,+/--naringenin,naringetol,salipurpol,--naringenin,narigenin,salipurol
IUPAC Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI Key FTVWIRXFELQLPI-UHFFFAOYSA-N
Molecular Formula C15H12O5
108

7-Ethoxy-4-methylcoumarin 97.0+%, TCI America™
SDP

CAS: 87-05-8 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00016971 InChI Key: NKRISXMDKXBVRJ-UHFFFAOYSA-N Synonym: 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one PubChem CID: 66595 IUPAC Name: 7-ethoxy-4-methyl-2H-chromen-2-one SMILES: CCOC1=CC=C2C(C)=CC(=O)OC2=C1

PubChem CID 66595
CAS 87-05-8
Molecular Weight (g/mol) 204.23
MDL Number MFCD00016971
SMILES CCOC1=CC=C2C(C)=CC(=O)OC2=C1
Synonym 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one
IUPAC Name 7-ethoxy-4-methyl-2H-chromen-2-one
InChI Key NKRISXMDKXBVRJ-UHFFFAOYSA-N
Molecular Formula C12H12O3
109

trans-Cinnamic Acid 98.0+%, TCI America™
SDP

CAS: 140-10-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00004369 InChI Key: WBYWAXJHAXSJNI-VOTSOKGWSA-N Synonym: cinnamic acid,trans-cinnamic acid,e-cinnamic acid,3-phenylacrylic acid,trans-3-phenylacrylic acid,zimtsaeure,2e-3-phenylprop-2-enoic acid,3-phenylprop-2-enoic acid,3-phenylpropenoic acid PubChem CID: 444539 ChEBI: CHEBI:35697 IUPAC Name: (E)-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=CC(=O)O

PubChem CID 444539
CAS 140-10-3
Molecular Weight (g/mol) 148.161
ChEBI CHEBI:35697
MDL Number MFCD00004369
SMILES C1=CC=C(C=C1)C=CC(=O)O
Synonym cinnamic acid,trans-cinnamic acid,e-cinnamic acid,3-phenylacrylic acid,trans-3-phenylacrylic acid,zimtsaeure,2e-3-phenylprop-2-enoic acid,3-phenylprop-2-enoic acid,3-phenylpropenoic acid
IUPAC Name (E)-3-phenylprop-2-enoic acid
InChI Key WBYWAXJHAXSJNI-VOTSOKGWSA-N
Molecular Formula C9H8O2
110

Umbelliferone 98.0+%, TCI America™
SDP

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
111

Disodium 4,4'-Bis(2-sulfonatostyryl)biphenyl 97.0+%, TCI America™
SDP

CAS: 27344-41-8 Molecular Formula: C28H20Na2O6S2 Molecular Weight (g/mol): 562.56 MDL Number: MFCD00318874,MFCD00318874 InChI Key: PMPJQLCPEQFEJW-GNTLFSRWSA-L PubChem CID: 87075690 IUPAC Name: disodium 2-[(1Z)-2-{4'-[(1Z)-2-(2-sulfonatophenyl)ethenyl]-[1,1'-biphenyl]-4-yl}ethenyl]benzene-1-sulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1\C=C/C1=CC=C(C=C1)C1=CC=C(\C=C/C2=CC=CC=C2S([O-])(=O)=O)C=C1

PubChem CID 87075690
CAS 27344-41-8
Molecular Weight (g/mol) 562.56
MDL Number MFCD00318874,MFCD00318874
SMILES [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1\C=C/C1=CC=C(C=C1)C1=CC=C(\C=C/C2=CC=CC=C2S([O-])(=O)=O)C=C1
IUPAC Name disodium 2-[(1Z)-2-{4'-[(1Z)-2-(2-sulfonatophenyl)ethenyl]-[1,1'-biphenyl]-4-yl}ethenyl]benzene-1-sulfonate
InChI Key PMPJQLCPEQFEJW-GNTLFSRWSA-L
Molecular Formula C28H20Na2O6S2
112

Benzoin 98.0+%, TCI America™
SDP

CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethan-1-one SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 8400
CAS 119-53-9
Molecular Weight (g/mol) 212.25
ChEBI CHEBI:17682
MDL Number MFCD00004496
SMILES OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone
IUPAC Name 2-hydroxy-1,2-diphenylethan-1-one
InChI Key ISAOCJYIOMOJEB-UHFFFAOYNA-N
Molecular Formula C14H12O2
113

Genistein, 99%, synthetic

CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280961
CAS 446-72-0
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:28088
MDL Number MFCD00016952
SMILES OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein
IUPAC Name 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
114

3-(4-Bromophenyl)propionic acid, 97%, Thermo Scientific Chemicals

CAS: 1643-30-7 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br

PubChem CID 2735609
CAS 1643-30-7
MDL Number MFCD01310793
SMILES C1=CC(=CC=C1CCC(=O)O)Br
Synonym 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm
IUPAC Name 3-(4-bromophenyl)propanoic acid
InChI Key NCSTWHYWOVZDOC-UHFFFAOYSA-N
115

alpha-Methylhydrocinnamic acid, 98%

CAS: 1009-67-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00192301 InChI Key: MCIIDRLDHRQKPH-UHFFFAOYNA-N Synonym: 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,# PubChem CID: 99862 IUPAC Name: 2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)C(O)=O

PubChem CID 99862
CAS 1009-67-2
Molecular Weight (g/mol) 164.20
MDL Number MFCD00192301
SMILES CC(CC1=CC=CC=C1)C(O)=O
Synonym 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,#
IUPAC Name 2-methyl-3-phenylpropanoic acid
InChI Key MCIIDRLDHRQKPH-UHFFFAOYNA-N
Molecular Formula C10H12O2
116

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
117

trans-2-Methyl-3-phenyl-2-propen-1-ol, 95%

CAS: 1504-55-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 InChI Key: LLNAMUJRIZIXHF-VQHVLOKHSA-N Synonym: 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol PubChem CID: 6393846 IUPAC Name: (E)-2-methyl-3-phenylprop-2-en-1-ol SMILES: CC(=CC1=CC=CC=C1)CO

PubChem CID 6393846
CAS 1504-55-8
Molecular Weight (g/mol) 148.2
SMILES CC(=CC1=CC=CC=C1)CO
Synonym 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol
IUPAC Name (E)-2-methyl-3-phenylprop-2-en-1-ol
InChI Key LLNAMUJRIZIXHF-VQHVLOKHSA-N
Molecular Formula C10H12O
118

Thermo Scientific Chemicals Acacetin

CAS: 480-44-4 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 InChI Key: DANYIYRPLHHOCZ-UHFFFAOYSA-N IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

CAS 480-44-4
Molecular Weight (g/mol) 284.27
SMILES COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
IUPAC Name 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
InChI Key DANYIYRPLHHOCZ-UHFFFAOYSA-N
Molecular Formula C16H12O5
119

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
120

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