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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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421 – 435 of 4,442 results
421

4-Cyanophenyl 4-Heptylbenzoate 98.0+%, TCI America™

CAS: 38690-76-5 Molecular Formula: C21H23NO2 Molecular Weight (g/mol): 321.42 MDL Number: MFCD00001817 InChI Key: ZWAUTNYPKHVAEZ-UHFFFAOYSA-N Synonym: 4-Heptylbenzoic Acid 4-Cyanophenyl Ester PubChem CID: 170097 IUPAC Name: (4-cyanophenyl) 4-heptylbenzoate SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

PubChem CID 170097
CAS 38690-76-5
Molecular Weight (g/mol) 321.42
MDL Number MFCD00001817
SMILES CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
Synonym 4-Heptylbenzoic Acid 4-Cyanophenyl Ester
IUPAC Name (4-cyanophenyl) 4-heptylbenzoate
InChI Key ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
Molecular Formula C21H23NO2
422

4-Butyl-4'-hydroxychalcone 98.0+%, TCI America™

CAS: 385810-21-9 Molecular Formula: C19H20O2 Molecular Weight (g/mol): 280.367 MDL Number: MFCD08276309 InChI Key: LFLVYHVGNKJGBV-UHFFFAOYSA-N Synonym: 2-(4-Butylbenzylidene)-4′C-hydroxyacetophenone, 4-(4-Butylcinnamoyl)phenol PubChem CID: 44629782 IUPAC Name: 3-(4-butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one SMILES: CCCCC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O

PubChem CID 44629782
CAS 385810-21-9
Molecular Weight (g/mol) 280.367
MDL Number MFCD08276309
SMILES CCCCC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O
Synonym 2-(4-Butylbenzylidene)-4′C-hydroxyacetophenone, 4-(4-Butylcinnamoyl)phenol
IUPAC Name 3-(4-butylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
InChI Key LFLVYHVGNKJGBV-UHFFFAOYSA-N
Molecular Formula C19H20O2
423

(S)-Benzylsuccinic Acid 98.0+%, TCI America™

CAS: 3972-36-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00798341 InChI Key: GTOFKXZQQDSVFH-VIFPVBQESA-N PubChem CID: 446168 IUPAC Name: (2S)-2-benzylbutanedioic acid SMILES: C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O

PubChem CID 446168
CAS 3972-36-9
Molecular Weight (g/mol) 208.213
MDL Number MFCD00798341
SMILES C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O
IUPAC Name (2S)-2-benzylbutanedioic acid
InChI Key GTOFKXZQQDSVFH-VIFPVBQESA-N
Molecular Formula C11H12O4
424

4-Bromocinnamic Acid 98.0+%, TCI America™

CAS: 1200-07-3 Molecular Formula: C9H7BrO2 Molecular Weight (g/mol): 227.06 MDL Number: MFCD00004394 InChI Key: CPDDDTNAMBSPRN-ZZXKWVIFSA-N Synonym: 4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006 PubChem CID: 737158 IUPAC Name: (2E)-3-(4-bromophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Br)C=C1

PubChem CID 737158
CAS 1200-07-3
Molecular Weight (g/mol) 227.06
MDL Number MFCD00004394
SMILES OC(=O)\C=C\C1=CC=C(Br)C=C1
Synonym 4-bromocinnamic acid,p-bromocinnamic acid,3-4-bromophenyl acrylic acid,bromocinnamic acid,4,2e-3-4-bromophenyl prop-2-enoic acid,trans-4-bromocinnamic acid,e-3-4-bromophenyl acrylic acid,2-propenoic acid, 3-4-bromophenyl-, 2e,4-bromocinnamic acid, predominantly trans,rarechem bk hd c006
IUPAC Name (2E)-3-(4-bromophenyl)prop-2-enoic acid
InChI Key CPDDDTNAMBSPRN-ZZXKWVIFSA-N
Molecular Formula C9H7BrO2
425

4-Biphenyl Benzoate 98.0+%, TCI America™

CAS: 2170-13-0 Molecular Formula: C19H14O2 Molecular Weight (g/mol): 274.319 MDL Number: MFCD00223541 InChI Key: CINHWMYRCOGYIX-UHFFFAOYSA-N Synonym: Benzoic Acid 4-Biphenyl Ester PubChem CID: 231743 IUPAC Name: (4-phenylphenyl) benzoate SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

PubChem CID 231743
CAS 2170-13-0
Molecular Weight (g/mol) 274.319
MDL Number MFCD00223541
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
Synonym Benzoic Acid 4-Biphenyl Ester
IUPAC Name (4-phenylphenyl) benzoate
InChI Key CINHWMYRCOGYIX-UHFFFAOYSA-N
Molecular Formula C19H14O2
426

7-Ethoxycoumarin 97.0+%, TCI America™

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
427

4-tert-Butylphenyl Salicylate 98.0+%, TCI America™

CAS: 87-18-3 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.328 MDL Number: MFCD00045759 InChI Key: DBOSBRHMHBENLP-UHFFFAOYSA-N Synonym: Salicylic Acid 4-tert-Butylphenyl Ester PubChem CID: 66597 IUPAC Name: (4-tert-butylphenyl) 2-hydroxybenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 66597
CAS 87-18-3
Molecular Weight (g/mol) 270.328
MDL Number MFCD00045759
SMILES CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym Salicylic Acid 4-tert-Butylphenyl Ester
IUPAC Name (4-tert-butylphenyl) 2-hydroxybenzoate
InChI Key DBOSBRHMHBENLP-UHFFFAOYSA-N
Molecular Formula C17H18O3
428

4-Methylesculetin 98.0+%, TCI America™

CAS: 529-84-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006859 InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one PubChem CID: 5319502 IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O

PubChem CID 5319502
CAS 529-84-0
Molecular Weight (g/mol) 192.17
MDL Number MFCD00006859
SMILES CC1=CC(=O)OC2=CC(=C(C=C12)O)O
Synonym 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one
IUPAC Name 6,7-dihydroxy-4-methylchromen-2-one
InChI Key KVOJTUXGYQVLAJ-UHFFFAOYSA-N
Molecular Formula C10H8O4
429

3-Methoxycinnamic Acid 99.0+%, TCI America™

CAS: 6099-04-3 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00004386 InChI Key: LZPNXAULYJPXEH-AATRIKPKSA-N Synonym: 3-methoxycinnamic acid,3-3-methoxyphenyl acrylic acid,2e-3-3-methoxyphenyl acrylic acid,2e-3-3-methoxyphenyl prop-2-enoic acid,trans-3-methoxycinnamic acid,m-methoxycinnamic acid,trans-3-3-methoxyphenyl acrylic acid,e-3-3-methoxyphenyl acrylic acid,2-propenoic acid, 3-3-methoxyphenyl-, 2e,trans-m-methoxycinnamic acid PubChem CID: 637668 IUPAC Name: (E)-3-(3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC(=C1)C=CC(=O)O

PubChem CID 637668
CAS 6099-04-3
Molecular Weight (g/mol) 178.19
MDL Number MFCD00004386
SMILES COC1=CC=CC(=C1)C=CC(=O)O
Synonym 3-methoxycinnamic acid,3-3-methoxyphenyl acrylic acid,2e-3-3-methoxyphenyl acrylic acid,2e-3-3-methoxyphenyl prop-2-enoic acid,trans-3-methoxycinnamic acid,m-methoxycinnamic acid,trans-3-3-methoxyphenyl acrylic acid,e-3-3-methoxyphenyl acrylic acid,2-propenoic acid, 3-3-methoxyphenyl-, 2e,trans-m-methoxycinnamic acid
IUPAC Name (E)-3-(3-methoxyphenyl)prop-2-enoic acid
InChI Key LZPNXAULYJPXEH-AATRIKPKSA-N
Molecular Formula C10H10O3
430

trans-2-Methoxycinnamic Acid 99.0+%, TCI America™

CAS: 1011-54-7 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00064238 InChI Key: FEGVSPGUHMGGBO-VOTSOKGWSA-N Synonym: 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid PubChem CID: 734154 IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC=C1C=CC(=O)O

PubChem CID 734154
CAS 1011-54-7
Molecular Weight (g/mol) 178.187
MDL Number MFCD00064238
SMILES COC1=CC=CC=C1C=CC(=O)O
Synonym 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid
IUPAC Name (E)-3-(2-methoxyphenyl)prop-2-enoic acid
InChI Key FEGVSPGUHMGGBO-VOTSOKGWSA-N
Molecular Formula C10H10O3
431

Minocycline Hydrochloride 98.0+%, TCI America™

CAS: 13614-98-7 Molecular Formula: C23H28ClN3O7 Molecular Weight (g/mol): 493.94 MDL Number: MFCD00083669 InChI Key: KDLQIOPKJDNQIM-WUURTAMISA-N Synonym: minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino PubChem CID: 54685925 IUPAC Name: hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride SMILES: [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C

PubChem CID 54685925
CAS 13614-98-7
Molecular Weight (g/mol) 493.94
MDL Number MFCD00083669
SMILES [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C
Synonym minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino
IUPAC Name hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride
InChI Key KDLQIOPKJDNQIM-WUURTAMISA-N
Molecular Formula C23H28ClN3O7
432

2-Benzyl-2-(dimethylamino)-4'-morpholinobutyrophenone 98.0+%, TCI America™

CAS: 119313-12-1 Molecular Formula: C23H30N2O2 Molecular Weight (g/mol): 366.505 MDL Number: MFCD00191775 InChI Key: UHFFVFAKEGKNAQ-UHFFFAOYSA-N Synonym: 2-Benzyl-2-(dimethylamino)-1-[4-(morpholino)phenyl]-1-butanone PubChem CID: 86171 IUPAC Name: 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one SMILES: CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C

PubChem CID 86171
CAS 119313-12-1
Molecular Weight (g/mol) 366.505
MDL Number MFCD00191775
SMILES CCC(CC1=CC=CC=C1)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C
Synonym 2-Benzyl-2-(dimethylamino)-1-[4-(morpholino)phenyl]-1-butanone
IUPAC Name 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one
InChI Key UHFFVFAKEGKNAQ-UHFFFAOYSA-N
Molecular Formula C23H30N2O2
433

1,3-Bis(4-methoxyphenyl)-1,3-propanedione 98.0+%, TCI America™

CAS: 18362-51-1 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.31 MDL Number: MFCD00025817 InChI Key: GNMDORSUZRRMFS-UHFFFAOYSA-N PubChem CID: 87596 IUPAC Name: 1,3-bis(4-methoxyphenyl)propane-1,3-dione SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(OC)C=C1

PubChem CID 87596
CAS 18362-51-1
Molecular Weight (g/mol) 284.31
MDL Number MFCD00025817
SMILES COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(OC)C=C1
IUPAC Name 1,3-bis(4-methoxyphenyl)propane-1,3-dione
InChI Key GNMDORSUZRRMFS-UHFFFAOYSA-N
Molecular Formula C17H16O4
434

Biochanin A 98.0+%, TCI America™

CAS: 491-80-5 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD00006839 InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N Synonym: biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl PubChem CID: 5280373 ChEBI: CHEBI:17574 IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280373
CAS 491-80-5
Molecular Weight (g/mol) 284.27
ChEBI CHEBI:17574
MDL Number MFCD00006839
SMILES COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl
IUPAC Name 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
InChI Key WUADCCWRTIWANL-UHFFFAOYSA-N
Molecular Formula C16H12O5
435

3-(Bromoacetyl)coumarin 95.0+%, TCI America™

CAS: 29310-88-1 Molecular Formula: C11H7BrO3 Molecular Weight (g/mol): 267.08 MDL Number: MFCD00488331 InChI Key: NTYOLVNSXVYRTJ-UHFFFAOYSA-N Synonym: 3-bromoacetyl coumarin,3-2-bromoacetyl-2h-chromen-2-one,3-2-bromoacetyl chromen-2-one,3-bromoacetylcoumarin,3-bromoacetyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 3-bromoacetyl,pubchem8670,rarechem ab ka k003,3-2-bromoacetyl-coumarin PubChem CID: 2063461 IUPAC Name: 3-(2-bromoacetyl)-2H-chromen-2-one SMILES: BrCC(=O)C1=CC2=CC=CC=C2OC1=O

PubChem CID 2063461
CAS 29310-88-1
Molecular Weight (g/mol) 267.08
MDL Number MFCD00488331
SMILES BrCC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym 3-bromoacetyl coumarin,3-2-bromoacetyl-2h-chromen-2-one,3-2-bromoacetyl chromen-2-one,3-bromoacetylcoumarin,3-bromoacetyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 3-bromoacetyl,pubchem8670,rarechem ab ka k003,3-2-bromoacetyl-coumarin
IUPAC Name 3-(2-bromoacetyl)-2H-chromen-2-one
InChI Key NTYOLVNSXVYRTJ-UHFFFAOYSA-N
Molecular Formula C11H7BrO3