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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 (867)
Cinnamic acids and derivatives (860)
Coumarins and derivatives (675)
Linear 1 3-diarylpropanoids (466)
Phenylpropanoic acids (332)
Depsides and depsidones (299)
Isoflavonoids (200)
Cinnamaldehydes (119)
Stilbenes (105)
Macrolide lactams (81)
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Macrolactams (22)
Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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166 – 180 of 3,622 results
166

Esculin, Spectrum™ Chemical
SDP

CAS: 531-75-9

CAS 531-75-9
167

6,7-Dihydroxycoumarin, 98+%

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
169

3',4',5,7-Tetrahydroxyflavone, 97%

CAS: 491-70-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 MDL Number: MFCD00017309 InChI Key: IQPNAANSBPBGFQ-UHFFFAOYSA-N Synonym: luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide PubChem CID: 5280445 ChEBI: CHEBI:15864 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O

PubChem CID 5280445
CAS 491-70-3
Molecular Weight (g/mol) 286.239
ChEBI CHEBI:15864
MDL Number MFCD00017309
SMILES C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
Synonym luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
InChI Key IQPNAANSBPBGFQ-UHFFFAOYSA-N
Molecular Formula C15H10O6
170

3-Phenylpropiophenone, 98%

CAS: 1083-30-3 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00039563 InChI Key: QGGZBXOADPVUPN-UHFFFAOYSA-N Synonym: dihydrochalcone,3-phenylpropiophenone,benzylacetophenone,hydrochalcone,1,3-diphenyl-1-propanone,beta-phenylpropiophenone,hydrocinnamophenone,1,3-diphenyl-1-oxopropane,phenethyl phenyl ketone,phenyl phenethyl ketone PubChem CID: 64802 ChEBI: CHEBI:71231 IUPAC Name: 1,3-diphenylpropan-1-one SMILES: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2

PubChem CID 64802
CAS 1083-30-3
Molecular Weight (g/mol) 210.276
ChEBI CHEBI:71231
MDL Number MFCD00039563
SMILES C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2
Synonym dihydrochalcone,3-phenylpropiophenone,benzylacetophenone,hydrochalcone,1,3-diphenyl-1-propanone,beta-phenylpropiophenone,hydrocinnamophenone,1,3-diphenyl-1-oxopropane,phenethyl phenyl ketone,phenyl phenethyl ketone
IUPAC Name 1,3-diphenylpropan-1-one
InChI Key QGGZBXOADPVUPN-UHFFFAOYSA-N
Molecular Formula C15H14O
171

4'-Hydroxychalcone, 97%

CAS: 2657-25-2 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00016484 InChI Key: UAHGNXFYLAJDIN-IZZDOVSWSA-N Synonym: 4'-hydroxychalcone,chalcone, 4'-hydroxy,1-4-hydroxyphenyl-3-phenylprop-2-en-1-one,2e-1-4-hydroxyphenyl-3-phenylprop-2-en-1-one,p-cinnamoylphenol,2-benzal-4'-hydroxyacetophenone,hydroxychalcone, 4',2-propen-1-one, 1-4-hydroxyphenyl-3-phenyl,unii-2k338k8uoa,e-1-4-hydroxyphenyl-3-phenyl-prop-2-en-1-one PubChem CID: 5282362 ChEBI: CHEBI:34360 IUPAC Name: (E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O

PubChem CID 5282362
CAS 2657-25-2
Molecular Weight (g/mol) 224.259
ChEBI CHEBI:34360
MDL Number MFCD00016484
SMILES C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O
Synonym 4'-hydroxychalcone,chalcone, 4'-hydroxy,1-4-hydroxyphenyl-3-phenylprop-2-en-1-one,2e-1-4-hydroxyphenyl-3-phenylprop-2-en-1-one,p-cinnamoylphenol,2-benzal-4'-hydroxyacetophenone,hydroxychalcone, 4',2-propen-1-one, 1-4-hydroxyphenyl-3-phenyl,unii-2k338k8uoa,e-1-4-hydroxyphenyl-3-phenyl-prop-2-en-1-one
IUPAC Name (E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one
InChI Key UAHGNXFYLAJDIN-IZZDOVSWSA-N
Molecular Formula C15H12O2
172

Dibenzoylmethane, 98%

CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 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) 224.26
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
173

2,3-Dibromo-3-phenylpropiophenone, 98%, Thermo Scientific™

CAS: 611-91-6 Molecular Formula: C15H12Br2O Molecular Weight (g/mol): 368.07 MDL Number: MFCD00017861 InChI Key: LYAGBKGGYRLVTR-UHFFFAOYNA-N PubChem CID: 95342 IUPAC Name: 2,3-dibromo-1,3-diphenylpropan-1-one SMILES: BrC(C(Br)C1=CC=CC=C1)C(=O)C1=CC=CC=C1

PubChem CID 95342
CAS 611-91-6
Molecular Weight (g/mol) 368.07
MDL Number MFCD00017861
SMILES BrC(C(Br)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
IUPAC Name 2,3-dibromo-1,3-diphenylpropan-1-one
InChI Key LYAGBKGGYRLVTR-UHFFFAOYNA-N
Molecular Formula C15H12Br2O
174

Wax Paraffin, White, Cake, Spectrum™ Chemical
SDP

CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1

CAS 8002-74-2
Molecular Weight (g/mol) 341.45
SMILES CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
IUPAC Name 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
InChI Key JWHAUXFOSRPERK-UHFFFAOYNA-N
Molecular Formula C21H27NO3
175

Wax Paraffin, Pastilles, Spectrum™ Chemical
SDP

CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1

CAS 8002-74-2
Molecular Weight (g/mol) 341.45
SMILES CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
IUPAC Name 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one
InChI Key JWHAUXFOSRPERK-UHFFFAOYNA-N
Molecular Formula C21H27NO3
176

Phloretin, 98%

CAS: 60-82-2 Molecular Formula: C15H14O5 Molecular Weight (g/mol): 274.27 MDL Number: MFCD00002288 InChI Key: VGEREEWJJVICBM-UHFFFAOYSA-N Synonym: phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone PubChem CID: 4788 ChEBI: CHEBI:17276 IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O

PubChem CID 4788
CAS 60-82-2
Molecular Weight (g/mol) 274.27
ChEBI CHEBI:17276
MDL Number MFCD00002288
SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
Synonym phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone
IUPAC Name 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI Key VGEREEWJJVICBM-UHFFFAOYSA-N
Molecular Formula C15H14O5
177

1,3-Diphenyl-1-butanone, 95%, Thermo Scientific Chemicals

CAS: 1533-20-6 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00026345 InChI Key: GIVFXLVPKFXTCU-UHFFFAOYSA-N Synonym: 1,3-diphenyl-1-butanone,3-phenylbutyrophenone,b-phenylbutyrophenone,acmc-20ap3x,1,3-diphenyl-butan-1-one,phenyl 2-phenylpropyl ketone,1-butanone, 1,3-diphenyl,2-alpha-methylbenzyl acetophenone PubChem CID: 137065 IUPAC Name: 1,3-diphenylbutan-1-one SMILES: CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2

PubChem CID 137065
CAS 1533-20-6
Molecular Weight (g/mol) 224.303
MDL Number MFCD00026345
SMILES CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2
Synonym 1,3-diphenyl-1-butanone,3-phenylbutyrophenone,b-phenylbutyrophenone,acmc-20ap3x,1,3-diphenyl-butan-1-one,phenyl 2-phenylpropyl ketone,1-butanone, 1,3-diphenyl,2-alpha-methylbenzyl acetophenone
IUPAC Name 1,3-diphenylbutan-1-one
InChI Key GIVFXLVPKFXTCU-UHFFFAOYSA-N
Molecular Formula C16H16O
178

1,3-Diphenylpropane, 98%

CAS: 1081-75-0 Molecular Formula: C15H16 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00043574 InChI Key: VEAFKIYNHVBNIP-UHFFFAOYSA-N Synonym: 1,3-diphenylpropane,3-phenylpropyl benzene,dibenzylmethane,propane, 1,3-diphenyl,unii-x3diq9w9po,3-phenyl-propyl-benzene,x3diq9w9po,benzene, 1,1'-1,3-propanediyl bis,propane, 1,3-diphenyl-8ci,benzene, 1,1'-1,3-propanediyl bis-9ci PubChem CID: 14125 ChEBI: CHEBI:34060 IUPAC Name: 3-phenylpropylbenzene SMILES: C(CC1=CC=CC=C1)CC1=CC=CC=C1

PubChem CID 14125
CAS 1081-75-0
Molecular Weight (g/mol) 196.29
ChEBI CHEBI:34060
MDL Number MFCD00043574
SMILES C(CC1=CC=CC=C1)CC1=CC=CC=C1
Synonym 1,3-diphenylpropane,3-phenylpropyl benzene,dibenzylmethane,propane, 1,3-diphenyl,unii-x3diq9w9po,3-phenyl-propyl-benzene,x3diq9w9po,benzene, 1,1'-1,3-propanediyl bis,propane, 1,3-diphenyl-8ci,benzene, 1,1'-1,3-propanediyl bis-9ci
IUPAC Name 3-phenylpropylbenzene
InChI Key VEAFKIYNHVBNIP-UHFFFAOYSA-N
Molecular Formula C15H16
179

(R)-(-)-2-Phenylpropionic acid, 97%

CAS: 7782-26-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00063140 InChI Key: YPGCWEMNNLXISK-SSDOTTSWSA-N Synonym: r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid PubChem CID: 446626 ChEBI: CHEBI:43035 IUPAC Name: (2R)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 446626
CAS 7782-26-5
Molecular Weight (g/mol) 150.177
ChEBI CHEBI:43035
MDL Number MFCD00063140
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid
IUPAC Name (2R)-2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-SSDOTTSWSA-N
Molecular Formula C9H10O2
180

3-Phenylpropionic acid, 99%

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