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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.
Phenylpropanoic acids (3)
Depsides and depsidones (1)
Linear 1 3-diarylpropanoids (1)
Ochratoxins and related substances (1)

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1

4-Methoxyphenyl 4-(3-Butenyloxy)benzoate 98.0+%, TCI America™

CAS: 76487-56-4 Molecular Formula: C18H18O4 Molecular Weight (g/mol): 298.34 MDL Number: MFCD00143337 InChI Key: CXPLNUIZUUBDCU-UHFFFAOYSA-N Synonym: 4-(3-Butenyloxy)benzoic Acid 4-Methoxyphenyl Ester PubChem CID: 144778 IUPAC Name: 4-methoxyphenyl 4-(but-3-en-1-yloxy)benzoate SMILES: COC1=CC=C(OC(=O)C2=CC=C(OCCC=C)C=C2)C=C1

PubChem CID 144778
CAS 76487-56-4
Molecular Weight (g/mol) 298.34
MDL Number MFCD00143337
SMILES COC1=CC=C(OC(=O)C2=CC=C(OCCC=C)C=C2)C=C1
Synonym 4-(3-Butenyloxy)benzoic Acid 4-Methoxyphenyl Ester
IUPAC Name 4-methoxyphenyl 4-(but-3-en-1-yloxy)benzoate
InChI Key CXPLNUIZUUBDCU-UHFFFAOYSA-N
Molecular Formula C18H18O4
2

(S)-(+)-2-(4-Isobutylphenyl)propionic Acid 98.0+%, TCI America™

CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

PubChem CID 39912
CAS 51146-56-6
Molecular Weight (g/mol) 206.285
ChEBI CHEBI:43415
MDL Number MFCD00069289
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula C13H18O2
3
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Ochratoxin A, 99+%

CAS: 303-47-9 Molecular Formula: C20H18ClNO6 Molecular Weight (g/mol): 403.82 MDL Number: MFCD00078079 InChI Key: RWQKHEORZBHNRI-BMIGLBTASA-N Synonym: ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382 PubChem CID: 442530 ChEBI: CHEBI:7719 IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl

PubChem CID 442530
CAS 303-47-9
Molecular Weight (g/mol) 403.82
ChEBI CHEBI:7719
MDL Number MFCD00078079
SMILES CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl
Synonym ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382
IUPAC Name (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid
InChI Key RWQKHEORZBHNRI-BMIGLBTASA-N
Molecular Formula C20H18ClNO6
4
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3-(3-Chloro-4-fluorophenyl)propionic acid, 96%

CAS: 881190-93-8 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.609 MDL Number: MFCD04116056 InChI Key: XJSXYOSRQKEOSZ-UHFFFAOYSA-N Synonym: 3-3-chloro-4-fluorophenyl propanoic acid,3-3-chloro-4-fluorophenyl propionic acid,3-chloro-4-fluorobenzenepropanoic acid,3-3-chloro-4-fluorophenyl propanoicacid,benzenepropanoicacid, 3-chloro-4-fluoro,3-3-chloro-4-fluoro-phenyl-propionic acid PubChem CID: 3503171 IUPAC Name: 3-(3-chloro-4-fluorophenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)Cl)F

PubChem CID 3503171
CAS 881190-93-8
Molecular Weight (g/mol) 202.609
MDL Number MFCD04116056
SMILES C1=CC(=C(C=C1CCC(=O)O)Cl)F
Synonym 3-3-chloro-4-fluorophenyl propanoic acid,3-3-chloro-4-fluorophenyl propionic acid,3-chloro-4-fluorobenzenepropanoic acid,3-3-chloro-4-fluorophenyl propanoicacid,benzenepropanoicacid, 3-chloro-4-fluoro,3-3-chloro-4-fluoro-phenyl-propionic acid
IUPAC Name 3-(3-chloro-4-fluorophenyl)propanoic acid
InChI Key XJSXYOSRQKEOSZ-UHFFFAOYSA-N
Molecular Formula C9H8ClFO2
5
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(S)-(+)-Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

PubChem CID 39912
CAS 51146-56-6
Molecular Weight (g/mol) 206.28
ChEBI CHEBI:43415
MDL Number MFCD00069289
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula C13H18O2
6

4,4'-Difluorochalcone 97.0+%, TCI America™

CAS: 2805-56-3 Molecular Formula: C15H10F2O Molecular Weight (g/mol): 244.24 MDL Number: MFCD00219906 InChI Key: AZBVDMNDUOURGI-XCVCLJGOSA-N Synonym: 4,4'-difluorochalcone,e-1,3-bis 4-fluorophenyl prop-2-en-1-one,2e-1,3-bis 4-fluorophenyl prop-2-en-1-one,1,3-bis 4-fluorophenyl prop-2-en-1-one,trans-4,4'-difluorochalcone,2-propen-1-one,1,3-bis 4-fluorophenyl,4,4'-difluoro chalcone,4,4/'-difluorochalcone,e-4,4'-difluorochalcone,azbvdmnduourgi-xcvcljgosa PubChem CID: 5286094 IUPAC Name: (2E)-1,3-bis(4-fluorophenyl)prop-2-en-1-one SMILES: FC1=CC=C(\C=C\C(=O)C2=CC=C(F)C=C2)C=C1

PubChem CID 5286094
CAS 2805-56-3
Molecular Weight (g/mol) 244.24
MDL Number MFCD00219906
SMILES FC1=CC=C(\C=C\C(=O)C2=CC=C(F)C=C2)C=C1
Synonym 4,4'-difluorochalcone,e-1,3-bis 4-fluorophenyl prop-2-en-1-one,2e-1,3-bis 4-fluorophenyl prop-2-en-1-one,1,3-bis 4-fluorophenyl prop-2-en-1-one,trans-4,4'-difluorochalcone,2-propen-1-one,1,3-bis 4-fluorophenyl,4,4'-difluoro chalcone,4,4/'-difluorochalcone,e-4,4'-difluorochalcone,azbvdmnduourgi-xcvcljgosa
IUPAC Name (2E)-1,3-bis(4-fluorophenyl)prop-2-en-1-one
InChI Key AZBVDMNDUOURGI-XCVCLJGOSA-N
Molecular Formula C15H10F2O