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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 (930)
Cinnamic acids and derivatives (918)
Linear 1 3-diarylpropanoids (794)
Coumarins and derivatives (717)
Depsides and depsidones (508)
Phenylpropanoic acids (342)
Isoflavonoids (221)
Cinnamaldehydes (134)
Stilbenes (109)
Macrolide lactams (93)
Anthracyclines (89)
Macrolides and analogues (74)
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Cinnamyl alcohols (59)
Isocoumarins and derivatives (30)
Macrolactams (23)
Dihydrocoumarins (15)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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4,381 – 4,395 of 4,413 results
4,381

MP Biomedicals, Inc β(o-Hydroxyphenyl)propionic Acid,MP Biomedicals

CAS: 495-78-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 InChI Key: CJBDUOMQLFKVQC-UHFFFAOYSA-N Synonym: 3-2-hydroxyphenyl propanoic acid,3-2-hydroxyphenyl propionic acid,melilotic acid,benzenepropanoic acid, 2-hydroxy,melilotate,o-hydroxyphenylpropionic acid,2-hydroxybenzenepropanoic acid,3-o-hydroxyphenyl propionic acid,2-hydroxyphenylpropanoate,unii-cn1rk42mad PubChem CID: 873 ChEBI: CHEBI:16104 IUPAC Name: 3-(2-hydroxyphenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)O

PubChem CID 873
CAS 495-78-3
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:16104
SMILES C1=CC=C(C(=C1)CCC(=O)O)O
Synonym 3-2-hydroxyphenyl propanoic acid,3-2-hydroxyphenyl propionic acid,melilotic acid,benzenepropanoic acid, 2-hydroxy,melilotate,o-hydroxyphenylpropionic acid,2-hydroxybenzenepropanoic acid,3-o-hydroxyphenyl propionic acid,2-hydroxyphenylpropanoate,unii-cn1rk42mad
IUPAC Name 3-(2-hydroxyphenyl)propanoic acid
InChI Key CJBDUOMQLFKVQC-UHFFFAOYSA-N
Molecular Formula C9H10O3
4,382

Benzoin Methyl Ether 96%, Thermo Scientific™

CAS: 3524-62-7 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 InChI Key: BQZJOQXSCSZQPS-UHFFFAOYSA-N Synonym: benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin PubChem CID: 98097 IUPAC Name: 2-methoxy-1,2-diphenylethanone SMILES: COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

PubChem CID 98097
CAS 3524-62-7
Molecular Weight (g/mol) 226.275
SMILES COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Synonym benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin
IUPAC Name 2-methoxy-1,2-diphenylethanone
InChI Key BQZJOQXSCSZQPS-UHFFFAOYSA-N
Molecular Formula C15H14O2
4,383

m-Methoxycinnamic Acid, Predominantly trans 97%, Thermo Scientific™

CAS: 6099-04-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 InChI Key: LZPNXAULYJPXEH-AATRIKPKSA-N Synonym: 3-methoxycinnamic acid,3-3-methoxyphenyl acrylic acid,m-methoxycinnamic acid,2e-3-3-methoxyphenyl acrylic acid,2e-3-3-methoxyphenyl prop-2-enoic acid,trans-3-methoxycinnamic acid,e-3-3-methoxyphenyl acrylic acid,trans-3-3-methoxyphenyl acrylic acid,2-propenoic acid, 3-3-methoxyphenyl-, 2e,3-3-methoxyphenyl prop-2-enoic acid PubChem CID: 637668

PubChem CID 637668
CAS 6099-04-3
Molecular Weight (g/mol) 178.19
Synonym 3-methoxycinnamic acid,3-3-methoxyphenyl acrylic acid,m-methoxycinnamic acid,2e-3-3-methoxyphenyl acrylic acid,2e-3-3-methoxyphenyl prop-2-enoic acid,trans-3-methoxycinnamic acid,e-3-3-methoxyphenyl acrylic acid,trans-3-3-methoxyphenyl acrylic acid,2-propenoic acid, 3-3-methoxyphenyl-, 2e,3-3-methoxyphenyl prop-2-enoic acid
InChI Key LZPNXAULYJPXEH-AATRIKPKSA-N
Molecular Formula C10H10O3
4,384

3-(4-Nitrophenyl)propanoic acid, 98%

CAS: 16642-79-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00126834 InChI Key: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid PubChem CID: 85526 IUPAC Name: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 85526
CAS 16642-79-8
Molecular Weight (g/mol) 195.17
MDL Number MFCD00126834
SMILES OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
Synonym 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid
IUPAC Name 3-(4-nitrophenyl)propanoic acid
InChI Key VZOPVJNBOQOLPN-UHFFFAOYSA-N
Molecular Formula C9H9NO4
4,385

Thermo Scientific Chemicals Repaglinide

CAS: 135062-02-1 Molecular Formula: C27H36N2O4 Molecular Weight (g/mol): 452.60 MDL Number: MFCD00906179 InChI Key: FAEKWTJYAYMJKF-QHCPKHFHSA-N IUPAC Name: 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid SMILES: CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O

CAS 135062-02-1
Molecular Weight (g/mol) 452.60
MDL Number MFCD00906179
SMILES CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O
IUPAC Name 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid
InChI Key FAEKWTJYAYMJKF-QHCPKHFHSA-N
Molecular Formula C27H36N2O4
4,386

(S)-3-Hydroxy-3-phenylpropanoic acid, 99%

CAS: 36567-72-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00145262 InChI Key: AYOLELPCNDVZKZ-QMMMGPOBSA-N Synonym: s-3-hydroxy-3-phenylpropanoic acid,3s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,s---3-hydroxy-3-phenylpropionic acid,benzenepropanoic acid,,a-hydroxy-,,as,s---3-hydroxy-3-phenylpropionic acid, 98+%,unii-s2w4lws09c component,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc PubChem CID: 2735057 ChEBI: CHEBI:51058 IUPAC Name: (3S)-3-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)O

PubChem CID 2735057
CAS 36567-72-3
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:51058
MDL Number MFCD00145262
SMILES C1=CC=C(C=C1)C(CC(=O)O)O
Synonym s-3-hydroxy-3-phenylpropanoic acid,3s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,s---3-hydroxy-3-phenylpropionic acid,benzenepropanoic acid,,a-hydroxy-,,as,s---3-hydroxy-3-phenylpropionic acid, 98+%,unii-s2w4lws09c component,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc
IUPAC Name (3S)-3-hydroxy-3-phenylpropanoic acid
InChI Key AYOLELPCNDVZKZ-QMMMGPOBSA-N
Molecular Formula C9H10O3
4,387

1,3-Diphenylpropanetrione 98.0+%, TCI America™

CAS: 643-75-4 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.24 MDL Number: MFCD00191426 InChI Key: RXVBJUZEFSAYPW-UHFFFAOYSA-N Synonym: Dibenzoyl Ketone PubChem CID: 223850 IUPAC Name: diphenylpropane-1,2,3-trione SMILES: O=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1

PubChem CID 223850
CAS 643-75-4
Molecular Weight (g/mol) 238.24
MDL Number MFCD00191426
SMILES O=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
Synonym Dibenzoyl Ketone
IUPAC Name diphenylpropane-1,2,3-trione
InChI Key RXVBJUZEFSAYPW-UHFFFAOYSA-N
Molecular Formula C15H10O3
4,388

3-(2-Methoxyphenyl)propionic Acid 98.0+%, TCI America™

CAS: 6342-77-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002772 InChI Key: XSZSNLOPIWWFHS-UHFFFAOYSA-N Synonym: 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611 PubChem CID: 80652 IUPAC Name: 3-(2-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC=C1CCC(=O)O

PubChem CID 80652
CAS 6342-77-4
Molecular Weight (g/mol) 180.203
MDL Number MFCD00002772
SMILES COC1=CC=CC=C1CCC(=O)O
Synonym 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611
IUPAC Name 3-(2-methoxyphenyl)propanoic acid
InChI Key XSZSNLOPIWWFHS-UHFFFAOYSA-N
Molecular Formula C10H12O3
4,389

4-Nitrocinnamaldehyde 98.0+%, TCI America™

CAS: 1734-79-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00007379 InChI Key: ALGQVMMYDWQDEC-OWOJBTEDSA-N Synonym: 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal PubChem CID: 5354135 IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enal SMILES: C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]

PubChem CID 5354135
CAS 1734-79-8
Molecular Weight (g/mol) 177.159
MDL Number MFCD00007379
SMILES C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]
Synonym 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal
IUPAC Name (E)-3-(4-nitrophenyl)prop-2-enal
InChI Key ALGQVMMYDWQDEC-OWOJBTEDSA-N
Molecular Formula C9H7NO3
4,390

4-Azidocoumarin 98.0+%, TCI America™

CAS: 42373-56-8 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.158 InChI Key: IUICMSYHSPWQPN-UHFFFAOYSA-N PubChem CID: 375228 IUPAC Name: 4-azidochromen-2-one SMILES: C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]

PubChem CID 375228
CAS 42373-56-8
Molecular Weight (g/mol) 187.158
SMILES C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]
IUPAC Name 4-azidochromen-2-one
InChI Key IUICMSYHSPWQPN-UHFFFAOYSA-N
Molecular Formula C9H5N3O2
4,391

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
4,392

4-Hexyloxyphenyl 4-Pentylbenzoate 99.0+%, TCI America™

CAS: 50802-52-3 Molecular Formula: C24H32O3 Molecular Weight (g/mol): 368.517 MDL Number: MFCD00059437 InChI Key: QOSDDNTYRMLJLY-UHFFFAOYSA-N Synonym: 4-Amylbenzoic Acid 4-Hexyloxyphenyl Ester, 4-Pentylbenzoic Acid 4-Hexyloxyphenyl Ester PubChem CID: 3084945 IUPAC Name: (4-hexoxyphenyl) 4-pentylbenzoate SMILES: CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC

PubChem CID 3084945
CAS 50802-52-3
Molecular Weight (g/mol) 368.517
MDL Number MFCD00059437
SMILES CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC
Synonym 4-Amylbenzoic Acid 4-Hexyloxyphenyl Ester, 4-Pentylbenzoic Acid 4-Hexyloxyphenyl Ester
IUPAC Name (4-hexoxyphenyl) 4-pentylbenzoate
InChI Key QOSDDNTYRMLJLY-UHFFFAOYSA-N
Molecular Formula C24H32O3
4,393

Bis(4-methoxycarbonylphenyl) Terephthalate 97.0+%, TCI America™

CAS: 99328-23-1 Molecular Formula: C24H18O8 Molecular Weight (g/mol): 434.4 MDL Number: MFCD00145360 InChI Key: XLVVPIVANBPSAY-UHFFFAOYSA-N Synonym: Terephthalic Acid Bis[4-(methoxycarbonyl)phenyl] Ester, DLC PubChem CID: 13878968 IUPAC Name: bis(4-methoxycarbonylphenyl) benzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC

PubChem CID 13878968
CAS 99328-23-1
Molecular Weight (g/mol) 434.4
MDL Number MFCD00145360
SMILES COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC
Synonym Terephthalic Acid Bis[4-(methoxycarbonyl)phenyl] Ester, DLC
IUPAC Name bis(4-methoxycarbonylphenyl) benzene-1,4-dicarboxylate
InChI Key XLVVPIVANBPSAY-UHFFFAOYSA-N
Molecular Formula C24H18O8
4,394

4-Octylphenyl Salicylate 95.0+%, TCI America™

CAS: 2512-56-3 Molecular Formula: C21H26O3 Molecular Weight (g/mol): 326.44 MDL Number: MFCD00045760 InChI Key: VNFXPOAMRORRJJ-UHFFFAOYSA-N Synonym: Salicylic Acid 4-Octylphenyl Ester PubChem CID: 520185 IUPAC Name: 4-octylphenyl 2-hydroxybenzoate SMILES: CCCCCCCCC1=CC=C(OC(=O)C2=CC=CC=C2O)C=C1

PubChem CID 520185
CAS 2512-56-3
Molecular Weight (g/mol) 326.44
MDL Number MFCD00045760
SMILES CCCCCCCCC1=CC=C(OC(=O)C2=CC=CC=C2O)C=C1
Synonym Salicylic Acid 4-Octylphenyl Ester
IUPAC Name 4-octylphenyl 2-hydroxybenzoate
InChI Key VNFXPOAMRORRJJ-UHFFFAOYSA-N
Molecular Formula C21H26O3