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Phenylpropanoids and polyketides

Flavonoids (855)
Cinnamic acids and derivatives (821)
Coumarins and derivatives (664)
Linear 1 3-diarylpropanoids (400)
Phenylpropanoic acids (331)
Depsides and depsidones (277)
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271 – 285 of 3,462 results
271

trans-2-Nitrocinnamic acid, 98%

CAS: 1013-96-3 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 MDL Number: MFCD00007189 InChI Key: BBQDLDVSEDAYAA-AATRIKPKSA-N Synonym: 2-nitrocinnamic acid,o-nitrocinnamic acid,3-2-nitrophenyl acrylic acid,e-3-2-nitrophenyl acrylic acid,cinnamic acid, o-nitro,trans-2-nitrocinnamic acid,2e-3-2-nitrophenyl prop-2-enoic acid,2-propenoic acid, 3-2-nitrophenyl,3-2-nitrophenyl-acrylic acid,ccris 1668 PubChem CID: 735923 SMILES: C1=CC=C(C(=C1)C=CC(=O)O)[N+](=O)[O-]

PubChem CID 735923
CAS 1013-96-3
Molecular Weight (g/mol) 193.158
MDL Number MFCD00007189
SMILES C1=CC=C(C(=C1)C=CC(=O)O)[N+](=O)[O-]
Synonym 2-nitrocinnamic acid,o-nitrocinnamic acid,3-2-nitrophenyl acrylic acid,e-3-2-nitrophenyl acrylic acid,cinnamic acid, o-nitro,trans-2-nitrocinnamic acid,2e-3-2-nitrophenyl prop-2-enoic acid,2-propenoic acid, 3-2-nitrophenyl,3-2-nitrophenyl-acrylic acid,ccris 1668
InChI Key BBQDLDVSEDAYAA-AATRIKPKSA-N
Molecular Formula C9H7NO4
272

Formononetin, 98%

CAS: 485-72-3 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.27 MDL Number: MFCD00016948 InChI Key: HKQYGTCOTHHOMP-UHFFFAOYSA-N Synonym: formononetin,biochanin b,formononetol,7-hydroxy-4'-methoxyisoflavone,7-hydroxy-3-4-methoxyphenyl-4h-chromen-4-one,4'-o-methyldaidzein,7-hydroxy-3-4-methoxyphenyl chromen-4-one,unii-295dqc67bj,7-hydroxy-3-4-methoxyphenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-3-4-methoxyphenyl PubChem CID: 5280378 ChEBI: CHEBI:18088 IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O

PubChem CID 5280378
CAS 485-72-3
Molecular Weight (g/mol) 268.27
ChEBI CHEBI:18088
MDL Number MFCD00016948
SMILES COC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O
Synonym formononetin,biochanin b,formononetol,7-hydroxy-4'-methoxyisoflavone,7-hydroxy-3-4-methoxyphenyl-4h-chromen-4-one,4'-o-methyldaidzein,7-hydroxy-3-4-methoxyphenyl chromen-4-one,unii-295dqc67bj,7-hydroxy-3-4-methoxyphenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-3-4-methoxyphenyl
IUPAC Name 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
InChI Key HKQYGTCOTHHOMP-UHFFFAOYSA-N
Molecular Formula C16H12O4
273

Pentafluorophenyl 4-morpholinobenzoate, 97%, Thermo Scientific™

CAS: 921938-51-4 Molecular Formula: C17H12F5NO3 Molecular Weight (g/mol): 373.28 MDL Number: MFCD09817462 InChI Key: UJYQDNSLPIRXRT-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229462 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F

PubChem CID 24229462
CAS 921938-51-4
Molecular Weight (g/mol) 373.28
MDL Number MFCD09817462
SMILES FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F
Synonym pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate
InChI Key UJYQDNSLPIRXRT-UHFFFAOYSA-N
Molecular Formula C17H12F5NO3
274

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
275

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
276

(S)-(+)-2-Phenylpropionic acid, 99%

CAS: 7782-24-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00063139 InChI Key: YPGCWEMNNLXISK-ZETCQYMHSA-N Synonym: s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc PubChem CID: 2724622 ChEBI: CHEBI:48527 IUPAC Name: (2S)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 2724622
CAS 7782-24-3
Molecular Weight (g/mol) 150.18
ChEBI CHEBI:48527
MDL Number MFCD00063139
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc
IUPAC Name (2S)-2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-ZETCQYMHSA-N
Molecular Formula C9H10O2
277

4-Methylumbelliferyl phosphate, 99%

CAS: 3368-04-5 MDL Number: MFCD00016969

CAS 3368-04-5
MDL Number MFCD00016969
278

Esculin, Spectrum™ Chemical
SDP

CAS: 531-75-9

CAS 531-75-9
279

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
280

4',5,7-Trihydroxyflavanone, 97%

CAS: 480-41-1 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.26 MDL Number: MFCD00006844 InChI Key: FTVWIRXFELQLPI-CYBMUJFWSA-N Synonym: 2r-naringenin,r-naringenin,naringenin,2r-5,7-dihydroxy-2-4-hydroxyphenyl-2,3-dihydro-4h-chromen-4-one,--naringenin,+-2r-5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,2,3-dihydro-5,7-dihydroxy-2-4-hydroxyphenyl-4-benzopyrone,+-naringenin,2r-5,7,4'-trihydroxyflavone,2r-4',5,7-trihydroxyflavanone PubChem CID: 667495 ChEBI: CHEBI:50201 IUPAC Name: (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

PubChem CID 667495
CAS 480-41-1
Molecular Weight (g/mol) 272.26
ChEBI CHEBI:50201
MDL Number MFCD00006844
SMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
Synonym 2r-naringenin,r-naringenin,naringenin,2r-5,7-dihydroxy-2-4-hydroxyphenyl-2,3-dihydro-4h-chromen-4-one,--naringenin,+-2r-5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,2,3-dihydro-5,7-dihydroxy-2-4-hydroxyphenyl-4-benzopyrone,+-naringenin,2r-5,7,4'-trihydroxyflavone,2r-4',5,7-trihydroxyflavanone
IUPAC Name (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
InChI Key FTVWIRXFELQLPI-CYBMUJFWSA-N
Molecular Formula C15H12O5
281

Anisoin, 95%

CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1

PubChem CID 95415
CAS 119-52-8
Molecular Weight (g/mol) 272.30
MDL Number MFCD00008411
SMILES COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
Synonym anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one
IUPAC Name 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
InChI Key LRRQSCPPOIUNGX-UHFFFAOYNA-N
Molecular Formula C16H16O4
282

4-Ethoxycinnamic acid, prediminantly trans, 98+%

CAS: 2373-79-7 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00016848 InChI Key: DZLOUWYGNATKKZ-VMPITWQZSA-N Synonym: 4-ethoxycinnamic acid,3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl prop-2-enoic acid,e-3-4-ethoxyphenyl acrylic acid,e-3-4-ethoxyphenyl prop-2-enoic acid,4-ethoxyphenylacrylic acid,p-ethoxycinnamic acid,ethoxyphenylacrylicacid,pubchem8239 PubChem CID: 704218 IUPAC Name: (E)-3-(4-ethoxyphenyl)prop-2-enoic acid SMILES: CCOC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 704218
CAS 2373-79-7
Molecular Weight (g/mol) 192.214
MDL Number MFCD00016848
SMILES CCOC1=CC=C(C=C1)C=CC(=O)O
Synonym 4-ethoxycinnamic acid,3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl acrylic acid,2e-3-4-ethoxyphenyl prop-2-enoic acid,e-3-4-ethoxyphenyl acrylic acid,e-3-4-ethoxyphenyl prop-2-enoic acid,4-ethoxyphenylacrylic acid,p-ethoxycinnamic acid,ethoxyphenylacrylicacid,pubchem8239
IUPAC Name (E)-3-(4-ethoxyphenyl)prop-2-enoic acid
InChI Key DZLOUWYGNATKKZ-VMPITWQZSA-N
Molecular Formula C11H12O3
283

Morin, MP Biomedicals™

CAS: 480-16-0 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.238 InChI Key: YXOLAZRVSSWPPT-UHFFFAOYSA-N Synonym: morin,aurantica,calico yellow,al-morin,toxylon pomiferum,bois d,arc,morin hydrate,2',3,4',5,7-pentahydroxyflavone,osage orange,osage orange extract PubChem CID: 5281670 ChEBI: CHEBI:75092 IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one SMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

PubChem CID 5281670
CAS 480-16-0
Molecular Weight (g/mol) 302.238
ChEBI CHEBI:75092
SMILES C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Synonym morin,aurantica,calico yellow,al-morin,toxylon pomiferum,bois d,arc,morin hydrate,2',3,4',5,7-pentahydroxyflavone,osage orange,osage orange extract
IUPAC Name 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
InChI Key YXOLAZRVSSWPPT-UHFFFAOYSA-N
Molecular Formula C15H10O7
284

(+/-)-Equol, Thermo Scientific Chemicals

CAS: 94105-90-5 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00016662 InChI Key: ADFCQWZHKCXPAJ-UHFFFAOYNA-N Synonym: 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol PubChem CID: 382975 IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol SMILES: OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2

PubChem CID 382975
CAS 94105-90-5
Molecular Weight (g/mol) 242.27
MDL Number MFCD00016662
SMILES OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
Synonym 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol
IUPAC Name 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
InChI Key ADFCQWZHKCXPAJ-UHFFFAOYNA-N
Molecular Formula C15H14O3
285

Thermo Scientific Chemicals (-)-Epigallocatechin, 95%, from green tea

CAS: 970-74-1 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 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
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