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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 (931)
Cinnamic acids and derivatives (929)
Linear 1 3-diarylpropanoids (799)
Coumarins and derivatives (712)
Depsides and depsidones (517)
Phenylpropanoic acids (346)
Isoflavonoids (220)
Cinnamaldehydes (136)
Stilbenes (110)
Macrolide lactams (93)
Anthracyclines (89)
Macrolides and analogues (74)
Tetracyclines (62)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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331 – 345 of 4,442 results
331
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7-Ethoxycoumarin, 99%

CAS: 31005-02-4 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00006877 InChI Key: LIFAQMGORKPVDH-UHFFFAOYSA-N Synonym: 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx PubChem CID: 35703 ChEBI: CHEBI:28184 IUPAC Name: 7-ethoxychromen-2-one SMILES: CCOC1=CC2=C(C=C1)C=CC(=O)O2

PubChem CID 35703
CAS 31005-02-4
Molecular Weight (g/mol) 190.198
ChEBI CHEBI:28184
MDL Number MFCD00006877
SMILES CCOC1=CC2=C(C=C1)C=CC(=O)O2
Synonym 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx
IUPAC Name 7-ethoxychromen-2-one
InChI Key LIFAQMGORKPVDH-UHFFFAOYSA-N
Molecular Formula C11H10O3
332
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4-Chloro-alpha-methylphenylacetic acid, 97%

CAS: 938-95-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00044670 InChI Key: YOZILQVNIWNPFP-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid PubChem CID: 102525 IUPAC Name: 2-(4-chlorophenyl)propanoic acid SMILES: CC(C1=CC=C(C=C1)Cl)C(=O)O

PubChem CID 102525
CAS 938-95-4
Molecular Weight (g/mol) 184.619
MDL Number MFCD00044670
SMILES CC(C1=CC=C(C=C1)Cl)C(=O)O
Synonym 2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid
IUPAC Name 2-(4-chlorophenyl)propanoic acid
InChI Key YOZILQVNIWNPFP-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
333

7-Methoxycoumarin-4-acetic acid

CAS: 62935-72-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00009774 InChI Key: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonym: 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh PubChem CID: 342221 ChEBI: CHEBI:51666 IUPAC Name: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1

PubChem CID 342221
CAS 62935-72-2
Molecular Weight (g/mol) 234.21
ChEBI CHEBI:51666
MDL Number MFCD00009774
SMILES COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1
Synonym 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh
IUPAC Name 2-(7-methoxy-2-oxochromen-4-yl)acetic acid
InChI Key ZEKAXIFHLIITGV-UHFFFAOYSA-N
Molecular Formula C12H10O5
334
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(R)-(+)-3-Hydroxy-3-phenylpropionic acid, 98+%

CAS: 2768-42-5 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00145219 InChI Key: AYOLELPCNDVZKZ-MRVPVSSYSA-M Synonym: 3r-3-hydroxy-3-phenylpropanoic acid,r-3-hydroxy-3-phenylpropanoic acid,r-3-hydroxy-3-phenylpropionic acid,r-+-3-hydroxy-3-phenylpropionic acid,+-3-phenylhydracrylic acid,benzenepropanoic acid, b-hydroxy-, br,r-+-3-hydroxy-3-phenylpropanoic acid,benzenepropanoic acid,,a-hydroxy-,,ar,r-+-3-hydroxy-3-phenyl propionic acid,unii-s2w4lws09c component PubChem CID: 6950815 ChEBI: CHEBI:51059 IUPAC Name: (3R)-3-hydroxy-3-phenylpropanoic acid SMILES: O[C@H](CC([O-])=O)C1=CC=CC=C1

PubChem CID 6950815
CAS 2768-42-5
Molecular Weight (g/mol) 165.17
ChEBI CHEBI:51059
MDL Number MFCD00145219
SMILES O[C@H](CC([O-])=O)C1=CC=CC=C1
Synonym 3r-3-hydroxy-3-phenylpropanoic acid,r-3-hydroxy-3-phenylpropanoic acid,r-3-hydroxy-3-phenylpropionic acid,r-+-3-hydroxy-3-phenylpropionic acid,+-3-phenylhydracrylic acid,benzenepropanoic acid, b-hydroxy-, br,r-+-3-hydroxy-3-phenylpropanoic acid,benzenepropanoic acid,,a-hydroxy-,,ar,r-+-3-hydroxy-3-phenyl propionic acid,unii-s2w4lws09c component
IUPAC Name (3R)-3-hydroxy-3-phenylpropanoic acid
InChI Key AYOLELPCNDVZKZ-MRVPVSSYSA-M
Molecular Formula C9H9O3
335

3,4-Dimethoxycinnamic acid, 99%, predominantly trans isomer

CAS: 2316-26-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00004387 InChI Key: HJBWJAPEBGSQPR-GQCTYLIASA-N Synonym: 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid PubChem CID: 717531 ChEBI: CHEBI:86549 IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OC

PubChem CID 717531
CAS 2316-26-9
Molecular Weight (g/mol) 208.21
ChEBI CHEBI:86549
MDL Number MFCD00004387
SMILES COC1=C(C=C(C=C1)C=CC(=O)O)OC
Synonym 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid
IUPAC Name (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
InChI Key HJBWJAPEBGSQPR-GQCTYLIASA-N
Molecular Formula C11H12O4
336
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Salicylsalicylic acid, 98%

CAS: 552-94-3 Molecular Formula: C14H10O5 Molecular Weight (g/mol): 258.22 MDL Number: MFCD00020252 InChI Key: WVYADZUPLLSGPU-UHFFFAOYSA-N Synonym: salsalate,sasapyrine,salicylsalicylic acid,disalicylic acid,disalcid,sasapyrinum,saloxium,2-carboxyphenyl salicylate,salina,diacesal PubChem CID: 5161 ChEBI: CHEBI:9014 IUPAC Name: 2-(2-hydroxybenzoyl)oxybenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O

PubChem CID 5161
CAS 552-94-3
Molecular Weight (g/mol) 258.22
ChEBI CHEBI:9014
MDL Number MFCD00020252
SMILES C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O
Synonym salsalate,sasapyrine,salicylsalicylic acid,disalicylic acid,disalcid,sasapyrinum,saloxium,2-carboxyphenyl salicylate,salina,diacesal
IUPAC Name 2-(2-hydroxybenzoyl)oxybenzoic acid
InChI Key WVYADZUPLLSGPU-UHFFFAOYSA-N
Molecular Formula C14H10O5
337
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4-Chloro-3-nitrocoumarin, 98%

CAS: 38464-20-9 Molecular Formula: C9H4ClNO4 Molecular Weight (g/mol): 225.584 MDL Number: MFCD00051670 InChI Key: OFLRQEKOAGDHKT-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrocoumarin,4-chloro-3-nitro-2h-chromen-2-one,4-chloro-3-nitro-chromen-2-one,3-nitro-4-chlorocoumarin,pubchem8672,acmc-1ahgg,4-chloranyl-3-nitro-chromen-2-one,4-chloro-3-nitro-1-benzopyran-2-one,2h-1-benzopyran-2-one,4-chloro-3-nitro PubChem CID: 688979 IUPAC Name: 4-chloro-3-nitrochromen-2-one SMILES: C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl

PubChem CID 688979
CAS 38464-20-9
Molecular Weight (g/mol) 225.584
MDL Number MFCD00051670
SMILES C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])Cl
Synonym 4-chloro-3-nitrocoumarin,4-chloro-3-nitro-2h-chromen-2-one,4-chloro-3-nitro-chromen-2-one,3-nitro-4-chlorocoumarin,pubchem8672,acmc-1ahgg,4-chloranyl-3-nitro-chromen-2-one,4-chloro-3-nitro-1-benzopyran-2-one,2h-1-benzopyran-2-one,4-chloro-3-nitro
IUPAC Name 4-chloro-3-nitrochromen-2-one
InChI Key OFLRQEKOAGDHKT-UHFFFAOYSA-N
Molecular Formula C9H4ClNO4
338
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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
339
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6-Aminocoumarin hydrochloride, 97%

CAS: 63989-79-7 Molecular Formula: C9H8ClNO2 Molecular Weight (g/mol): 197.62 MDL Number: MFCD00082671 InChI Key: OSIGAIXSSYAHEG-UHFFFAOYSA-N Synonym: 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1 PubChem CID: 356789 IUPAC Name: 6-aminochromen-2-one;hydrochloride SMILES: [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1

PubChem CID 356789
CAS 63989-79-7
Molecular Weight (g/mol) 197.62
MDL Number MFCD00082671
SMILES [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1
Synonym 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1
IUPAC Name 6-aminochromen-2-one;hydrochloride
InChI Key OSIGAIXSSYAHEG-UHFFFAOYSA-N
Molecular Formula C9H8ClNO2
340

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
341
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4-Hydroxy-7-methoxycoumarin, 95%

CAS: 17575-15-4 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00673700 InChI Key: HFGKBQZAHZKDLV-UHFFFAOYSA-N PubChem CID: 54691408 IUPAC Name: 4-hydroxy-7-methoxychromen-2-one SMILES: COC1=CC=C2C(=O)C=C(O)OC2=C1

PubChem CID 54691408
CAS 17575-15-4
Molecular Weight (g/mol) 192.17
MDL Number MFCD00673700
SMILES COC1=CC=C2C(=O)C=C(O)OC2=C1
IUPAC Name 4-hydroxy-7-methoxychromen-2-one
InChI Key HFGKBQZAHZKDLV-UHFFFAOYSA-N
Molecular Formula C10H8O4
342
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DL-3-Phenyllactic acid, 97%

CAS: 828-01-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00065928 InChI Key: VOXXWSYKYCBWHO-UHFFFAOYSA-N Synonym: dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid PubChem CID: 3848 ChEBI: CHEBI:25998 IUPAC Name: 2-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

PubChem CID 3848
CAS 828-01-3
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:25998
MDL Number MFCD00065928
SMILES C1=CC=C(C=C1)CC(C(=O)O)O
Synonym dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid
IUPAC Name 2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-UHFFFAOYSA-N
Molecular Formula C9H10O3
343
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7-Hydroxycoumarinyl-4-acetic acid, 97%

CAS: 6950-82-9 Molecular Formula: C11H8O5 Molecular Weight (g/mol): 220.18 MDL Number: MFCD00037563 InChI Key: BNHPMQBVNXMPDU-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid PubChem CID: 5338490 IUPAC Name: 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O

PubChem CID 5338490
CAS 6950-82-9
Molecular Weight (g/mol) 220.18
MDL Number MFCD00037563
SMILES C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O
Synonym 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid
IUPAC Name 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid
InChI Key BNHPMQBVNXMPDU-UHFFFAOYSA-N
Molecular Formula C11H8O5
345

4-(Dimethylamino)Cinnamaldehyde, Sigma-Aldrich

CAS: 6203-18-5 Molecular Weight (g/mol): 175.23 g/mol

CAS 6203-18-5
Molecular Weight (g/mol) 175.23 g/mol