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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.
Cinnamic acids and derivatives (941)
Flavonoids (930)
Linear 1 3-diarylpropanoids (797)
Coumarins and derivatives (716)
Depsides and depsidones (521)
Phenylpropanoic acids (342)
Isoflavonoids (222)
Cinnamaldehydes (133)
Stilbenes (111)
Macrolide lactams (92)
Anthracyclines (90)
Macrolides and analogues (74)
Tetracyclines (64)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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421 – 435 of 4,457 results
421

Coumarin 337 98.0+%, TCI America™

CAS: 55804-68-7 Molecular Formula: C16H14N2O2 Molecular Weight (g/mol): 266.30 MDL Number: MFCD00051332 InChI Key: LGDDFMCJIHJNMK-UHFFFAOYSA-N Synonym: coumarin 337,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,coumarin 523,pubchem13313,1h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carbonitrile,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,2,3,6,7-tetrahydro-11-oxo PubChem CID: 72654 IUPAC Name: 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile SMILES: O=C1OC2=C3CCCN4CCCC(C=C2C=C1C#N)=C34

PubChem CID 72654
CAS 55804-68-7
Molecular Weight (g/mol) 266.30
MDL Number MFCD00051332
SMILES O=C1OC2=C3CCCN4CCCC(C=C2C=C1C#N)=C34
Synonym coumarin 337,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,coumarin 523,pubchem13313,1h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carbonitrile,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,2,3,6,7-tetrahydro-11-oxo
IUPAC Name 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
InChI Key LGDDFMCJIHJNMK-UHFFFAOYSA-N
Molecular Formula C16H14N2O2
422

(-)-Epigallocatechin 98.0+%, TCI America™

CAS: 970-74-1 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD00075939 InChI Key: XMOCLSLCDHWDHP-IUODEOHRSA-N Synonym: --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol PubChem CID: 72277 ChEBI: CHEBI:42255 IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O

PubChem CID 72277
CAS 970-74-1
Molecular Weight (g/mol) 306.27
ChEBI CHEBI:42255
MDL Number MFCD00075939
SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
Synonym --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol
IUPAC Name (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI Key XMOCLSLCDHWDHP-IUODEOHRSA-N
Molecular Formula C15H14O7
423

7-(Ethylamino)-4,6-dimethylcoumarin 98.0+%, TCI America™

CAS: 26078-25-1 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.268 MDL Number: MFCD00006860 InChI Key: QZXAEJGHNXJTSE-UHFFFAOYSA-N Synonym: coumarin 2,4,6-dimethyl-7-ethylamino coumarin,7-ethylamino-4,6-dimethyl coumarin,7-ethylamino-4,6-dimethyl-2h-chromen-2-one,7-ethylamino-4,6-dimethyl-chromen-2-one,4,6-dimethyl-7-ethylaminocoumarin,coumarin, 7-ethylamino-4,6-dimethyl,2h-1-benzopyran-2-one, 7-ethylamino-4,6-dimethyl,coumarin 450,ccris 4958 PubChem CID: 96929 IUPAC Name: 7-(ethylamino)-4,6-dimethylchromen-2-one SMILES: CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C

PubChem CID 96929
CAS 26078-25-1
Molecular Weight (g/mol) 217.268
MDL Number MFCD00006860
SMILES CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C
Synonym coumarin 2,4,6-dimethyl-7-ethylamino coumarin,7-ethylamino-4,6-dimethyl coumarin,7-ethylamino-4,6-dimethyl-2h-chromen-2-one,7-ethylamino-4,6-dimethyl-chromen-2-one,4,6-dimethyl-7-ethylaminocoumarin,coumarin, 7-ethylamino-4,6-dimethyl,2h-1-benzopyran-2-one, 7-ethylamino-4,6-dimethyl,coumarin 450,ccris 4958
IUPAC Name 7-(ethylamino)-4,6-dimethylchromen-2-one
InChI Key QZXAEJGHNXJTSE-UHFFFAOYSA-N
Molecular Formula C13H15NO2
424

alpha-Methylcinnamic Acid 98.0+%, TCI America™

CAS: 1199-77-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002652 InChI Key: XNCRUNXWPDJHGV-BQYQJAHWSA-N Synonym: alpha-methylcinnamic acid,2-methyl-3-phenylacrylic acid,2e-2-methyl-3-phenylprop-2-enoic acid,a-methylcinnamic acid,2e-2-methyl-3-phenylacrylic acid,.alpha.-methylcinnamic acid,e-2-methyl-3-phenylacrylic acid,2-propenoic acid, 2-methyl-3-phenyl,alpha-methyl cinnamic acid,e-2-methyl-3-phenylprop-2-enoic acid PubChem CID: 637817 IUPAC Name: (2E)-2-methyl-3-phenylprop-2-enoic acid SMILES: C\C(=C/C1=CC=CC=C1)C(O)=O

PubChem CID 637817
CAS 1199-77-5
Molecular Weight (g/mol) 162.19
MDL Number MFCD00002652
SMILES C\C(=C/C1=CC=CC=C1)C(O)=O
Synonym alpha-methylcinnamic acid,2-methyl-3-phenylacrylic acid,2e-2-methyl-3-phenylprop-2-enoic acid,a-methylcinnamic acid,2e-2-methyl-3-phenylacrylic acid,.alpha.-methylcinnamic acid,e-2-methyl-3-phenylacrylic acid,2-propenoic acid, 2-methyl-3-phenyl,alpha-methyl cinnamic acid,e-2-methyl-3-phenylprop-2-enoic acid
IUPAC Name (2E)-2-methyl-3-phenylprop-2-enoic acid
InChI Key XNCRUNXWPDJHGV-BQYQJAHWSA-N
Molecular Formula C10H10O2
425

3-(4-Hydroxyphenyl)propionic Acid 98.0+%, TCI America™

CAS: 501-97-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002778 InChI Key: NMHMNPHRMNGLLB-UHFFFAOYSA-N Synonym: 3-4-hydroxyphenyl propionic acid,phloretic acid,3-4-hydroxyphenyl propanoic acid,desaminotyrosine,hydro-p-coumaric acid,dihydro-p-coumaric acid,benzenepropanoic acid, 4-hydroxy,4-hydroxyphenylpropionic acid,p-hydroxyhydrocinnamic acid,3-p-hydroxyphenyl propionic acid PubChem CID: 10394 ChEBI: CHEBI:32980 IUPAC Name: 3-(4-hydroxyphenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)O

PubChem CID 10394
CAS 501-97-3
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:32980
MDL Number MFCD00002778
SMILES C1=CC(=CC=C1CCC(=O)O)O
Synonym 3-4-hydroxyphenyl propionic acid,phloretic acid,3-4-hydroxyphenyl propanoic acid,desaminotyrosine,hydro-p-coumaric acid,dihydro-p-coumaric acid,benzenepropanoic acid, 4-hydroxy,4-hydroxyphenylpropionic acid,p-hydroxyhydrocinnamic acid,3-p-hydroxyphenyl propionic acid
IUPAC Name 3-(4-hydroxyphenyl)propanoic acid
InChI Key NMHMNPHRMNGLLB-UHFFFAOYSA-N
Molecular Formula C9H10O3
426

6-Methoxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 6295-35-8 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00635101 InChI Key: KNGPIBWCWOQBEK-UHFFFAOYSA-N PubChem CID: 223821 IUPAC Name: 6-methoxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=C1C=C(C=C2)OC

PubChem CID 223821
CAS 6295-35-8
Molecular Weight (g/mol) 190.198
MDL Number MFCD00635101
SMILES CC1=CC(=O)OC2=C1C=C(C=C2)OC
IUPAC Name 6-methoxy-4-methylchromen-2-one
InChI Key KNGPIBWCWOQBEK-UHFFFAOYSA-N
Molecular Formula C11H10O3
427

Osthole 98.0+%, TCI America™

CAS: 484-12-8 Molecular Formula: C15H16O3 Molecular Weight (g/mol): 244.29 MDL Number: MFCD00076049 InChI Key: MBRLOUHOWLUMFF-UHFFFAOYSA-N Synonym: 7-Methoxy-8-(3-methyl-2-butenyl)coumarin PubChem CID: 10228 ChEBI: CHEBI:69832 IUPAC Name: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one SMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C

PubChem CID 10228
CAS 484-12-8
Molecular Weight (g/mol) 244.29
ChEBI CHEBI:69832
MDL Number MFCD00076049
SMILES CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
Synonym 7-Methoxy-8-(3-methyl-2-butenyl)coumarin
IUPAC Name 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
InChI Key MBRLOUHOWLUMFF-UHFFFAOYSA-N
Molecular Formula C15H16O3
428

4-Ethoxycoumarin 98.0+%, TCI America™

CAS: 35817-27-7 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00052755 InChI Key: FLZDKBHAUILYAZ-UHFFFAOYSA-N PubChem CID: 688703 IUPAC Name: 4-ethoxychromen-2-one SMILES: CCOC1=CC(=O)OC2=CC=CC=C21

PubChem CID 688703
CAS 35817-27-7
Molecular Weight (g/mol) 190.198
MDL Number MFCD00052755
SMILES CCOC1=CC(=O)OC2=CC=CC=C21
IUPAC Name 4-ethoxychromen-2-one
InChI Key FLZDKBHAUILYAZ-UHFFFAOYSA-N
Molecular Formula C11H10O3
429

2,4,5-Trimethoxycinnamic Acid 97.0+%, TCI America™

CAS: 24160-53-0 Molecular Formula: C12H14O5 Molecular Weight (g/mol): 238.24 MDL Number: MFCD00004377 InChI Key: XCEGAEUDHJEYRY-SNAWJCMRSA-N Synonym: 2,4,5-trimethoxycinnamic acid,3-2,4,5-trimethoxyphenyl acrylic acid,trans-2,4,5-trimethoxycinnamic acid,3-2,4,5-trimethoxyphenyl prop-2-enoic acid,2e-3-2,4,5-trimethoxyphenyl prop-2-enoic acid,e-3-2,4,5-trimethoxyphenyl prop-2-enoic acid,cinnamic acid, 2,4,5-trimethoxy,2-propenoic acid, 3-2,4,5-trimethoxyphenyl,3-2,4,5-trimethoxyphenyl-2-propenoic acid #,2,4,5-trimethoxycinnamic acid, predominantly trans PubChem CID: 688363 IUPAC Name: (2E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(OC)=C(\C=C\C(O)=O)C=C1OC

PubChem CID 688363
CAS 24160-53-0
Molecular Weight (g/mol) 238.24
MDL Number MFCD00004377
SMILES COC1=CC(OC)=C(\C=C\C(O)=O)C=C1OC
Synonym 2,4,5-trimethoxycinnamic acid,3-2,4,5-trimethoxyphenyl acrylic acid,trans-2,4,5-trimethoxycinnamic acid,3-2,4,5-trimethoxyphenyl prop-2-enoic acid,2e-3-2,4,5-trimethoxyphenyl prop-2-enoic acid,e-3-2,4,5-trimethoxyphenyl prop-2-enoic acid,cinnamic acid, 2,4,5-trimethoxy,2-propenoic acid, 3-2,4,5-trimethoxyphenyl,3-2,4,5-trimethoxyphenyl-2-propenoic acid #,2,4,5-trimethoxycinnamic acid, predominantly trans
IUPAC Name (2E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid
InChI Key XCEGAEUDHJEYRY-SNAWJCMRSA-N
Molecular Formula C12H14O5
430

4-Methoxycinnamic Acid 98.0+%, TCI America™

CAS: 830-09-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 699414
CAS 830-09-1
Molecular Weight (g/mol) 178.187
MDL Number MFCD00004398
SMILES COC1=CC=C(C=C1)C=CC(=O)O
Synonym 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI Key AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula C10H10O3
431

2-[4-(Bromomethyl)phenyl]propionic Acid 98.0+%, TCI America™

CAS: 111128-12-2 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD02093445 InChI Key: QQXBRVQJMKBAOZ-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid PubChem CID: 2733978 IUPAC Name: 2-[4-(bromomethyl)phenyl]propanoic acid SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)O

PubChem CID 2733978
CAS 111128-12-2
Molecular Weight (g/mol) 243.1
MDL Number MFCD02093445
SMILES CC(C1=CC=C(C=C1)CBr)C(=O)O
Synonym 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid
IUPAC Name 2-[4-(bromomethyl)phenyl]propanoic acid
InChI Key QQXBRVQJMKBAOZ-UHFFFAOYSA-N
Molecular Formula C10H11BrO2
432

4-Aminohydrocinnamic Acid 98.0+%, TCI America™

CAS: 2393-17-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00017118 InChI Key: WXOHKMNWMKZMND-UHFFFAOYSA-N Synonym: 3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid PubChem CID: 75451 IUPAC Name: 3-(4-aminophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)N

PubChem CID 75451
CAS 2393-17-1
Molecular Weight (g/mol) 165.192
MDL Number MFCD00017118
SMILES C1=CC(=CC=C1CCC(=O)O)N
Synonym 3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid
IUPAC Name 3-(4-aminophenyl)propanoic acid
InChI Key WXOHKMNWMKZMND-UHFFFAOYSA-N
Molecular Formula C9H11NO2
433

2-[(Acetylthio)methyl]-3-phenylpropionic Acid 98.0+%, TCI America™

CAS: 91702-98-6 Molecular Formula: C12H14O3S Molecular Weight (g/mol): 238.301 MDL Number: MFCD00236751 InChI Key: BCAAXVOKLXDSPD-UHFFFAOYSA-N PubChem CID: 9991796 IUPAC Name: 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid SMILES: CC(=O)SCC(CC1=CC=CC=C1)C(=O)O

PubChem CID 9991796
CAS 91702-98-6
Molecular Weight (g/mol) 238.301
MDL Number MFCD00236751
SMILES CC(=O)SCC(CC1=CC=CC=C1)C(=O)O
IUPAC Name 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
InChI Key BCAAXVOKLXDSPD-UHFFFAOYSA-N
Molecular Formula C12H14O3S
434

3-Acetylcoumarin 98.0+%, TCI America™

CAS: 3949-36-8 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00006853 InChI Key: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonym: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 PubChem CID: 77553 IUPAC Name: 3-acetylchromen-2-one SMILES: CC(=O)C1=CC2=CC=CC=C2OC1=O

PubChem CID 77553
CAS 3949-36-8
Molecular Weight (g/mol) 188.182
MDL Number MFCD00006853
SMILES CC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891
IUPAC Name 3-acetylchromen-2-one
InChI Key CSPIFKKOBWYOEX-UHFFFAOYSA-N
Molecular Formula C11H8O3
435

Chalcone 98.0+%, TCI America™

CAS: 94-41-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00003082 InChI Key: DQFBYFPFKXHELB-VAWYXSNFSA-N Synonym: chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone PubChem CID: 637760 ChEBI: CHEBI:48965 IUPAC Name: (2E)-1,3-diphenylprop-2-en-1-one SMILES: O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 637760
CAS 94-41-7
Molecular Weight (g/mol) 208.26
ChEBI CHEBI:48965
MDL Number MFCD00003082
SMILES O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
Synonym chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone
IUPAC Name (2E)-1,3-diphenylprop-2-en-1-one
InChI Key DQFBYFPFKXHELB-VAWYXSNFSA-N
Molecular Formula C15H12O