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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 (932)
Flavonoids (926)
Linear 1 3-diarylpropanoids (793)
Coumarins and derivatives (713)
Depsides and depsidones (520)
Phenylpropanoic acids (342)
Isoflavonoids (220)
Cinnamaldehydes (133)
Stilbenes (110)
Macrolide lactams (92)
Anthracyclines (89)
Macrolides and analogues (74)
Tetracyclines (62)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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511 – 525 of 4,431 results
511

Ethyl 7-(Diethylamino)coumarin-3-carboxylate 98.0+%, TCI America™

CAS: 28705-46-6 Molecular Formula: C16H19NO4 Molecular Weight (g/mol): 289.331 MDL Number: MFCD00227484 InChI Key: MSOLGAJLRIINNF-UHFFFAOYSA-N Synonym: 7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester PubChem CID: 120014 IUPAC Name: ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC

PubChem CID 120014
CAS 28705-46-6
Molecular Weight (g/mol) 289.331
MDL Number MFCD00227484
SMILES CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OCC
Synonym 7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester
IUPAC Name ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI Key MSOLGAJLRIINNF-UHFFFAOYSA-N
Molecular Formula C16H19NO4
512

Coumarin 6H 97.0+%, TCI America™

CAS: 58336-35-9 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 MDL Number: MFCD00227485 InChI Key: MZSOXGPKUOAXNY-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin PubChem CID: 94022 SMILES: C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1

PubChem CID 94022
CAS 58336-35-9
Molecular Weight (g/mol) 241.29
MDL Number MFCD00227485
SMILES C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1
Synonym 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin
InChI Key MZSOXGPKUOAXNY-UHFFFAOYSA-N
Molecular Formula C15H15NO2
513

Coumarin-3-carboxylic Acid 98.0+%, TCI America™

CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00006852 InChI Key: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van PubChem CID: 10752 IUPAC Name: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

PubChem CID 10752
CAS 531-81-7
Molecular Weight (g/mol) 190.154
MDL Number MFCD00006852
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
Synonym coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van
IUPAC Name 2-oxochromene-3-carboxylic acid
InChI Key ACMLKANOGIVEPB-UHFFFAOYSA-N
Molecular Formula C10H6O4
514

4-Fluorocinnamaldehyde 95.0+%, TCI America™

CAS: 24654-55-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.152 MDL Number: MFCD03425895 InChI Key: YSIYEWBILJZDQH-OWOJBTEDSA-N Synonym: 3-(4-Fluorophenyl)acrylaldehyde, 3-(4-Fluorophenyl)-2-propenal PubChem CID: 11217342 IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enal SMILES: C1=CC(=CC=C1C=CC=O)F

PubChem CID 11217342
CAS 24654-55-5
Molecular Weight (g/mol) 150.152
MDL Number MFCD03425895
SMILES C1=CC(=CC=C1C=CC=O)F
Synonym 3-(4-Fluorophenyl)acrylaldehyde, 3-(4-Fluorophenyl)-2-propenal
IUPAC Name (E)-3-(4-fluorophenyl)prop-2-enal
InChI Key YSIYEWBILJZDQH-OWOJBTEDSA-N
Molecular Formula C9H7FO
515

(E)-4-Methoxycinnamaldehyde 97.0+%, TCI America™

CAS: 24680-50-0 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00017343 InChI Key: AXCXHFKZHDEKTP-NSCUHMNNSA-N Synonym: 4-methoxycinnamaldehyde,3-4-methoxyphenyl acrylaldehyde,p-methoxycinnamaldehyde,e-3-4-methoxyphenyl acrylaldehyde,3-4-methoxyphenyl-2-propenal,trans-4-methoxycinnamaldehyde,p-methoxy cinnamaldehyde,p-methoxycinnamic aldehyde,trans-p-methoxycinnamaldehyde,cinnamaldehyde, p-methoxy PubChem CID: 641294 ChEBI: CHEBI:27952 IUPAC Name: (2E)-3-(4-methoxyphenyl)prop-2-enal SMILES: COC1=CC=C(\C=C\C=O)C=C1

PubChem CID 641294
CAS 24680-50-0
Molecular Weight (g/mol) 162.19
ChEBI CHEBI:27952
MDL Number MFCD00017343
SMILES COC1=CC=C(\C=C\C=O)C=C1
Synonym 4-methoxycinnamaldehyde,3-4-methoxyphenyl acrylaldehyde,p-methoxycinnamaldehyde,e-3-4-methoxyphenyl acrylaldehyde,3-4-methoxyphenyl-2-propenal,trans-4-methoxycinnamaldehyde,p-methoxy cinnamaldehyde,p-methoxycinnamic aldehyde,trans-p-methoxycinnamaldehyde,cinnamaldehyde, p-methoxy
IUPAC Name (2E)-3-(4-methoxyphenyl)prop-2-enal
InChI Key AXCXHFKZHDEKTP-NSCUHMNNSA-N
Molecular Formula C10H10O2
516

Ononin 97.0+%, TCI America™

CAS: 486-62-4 Molecular Formula: C22H22O9 Molecular Weight (g/mol): 430.409 MDL Number: MFCD00017464 InChI Key: MGJLSBDCWOSMHL-MIUGBVLSSA-N Synonym: Formononetin 7-O-beta-D-glucopyranoside PubChem CID: 442813 ChEBI: CHEBI:7775 IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O

PubChem CID 442813
CAS 486-62-4
Molecular Weight (g/mol) 430.409
ChEBI CHEBI:7775
MDL Number MFCD00017464
SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O
Synonym Formononetin 7-O-beta-D-glucopyranoside
IUPAC Name 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI Key MGJLSBDCWOSMHL-MIUGBVLSSA-N
Molecular Formula C22H22O9
517

Daidzein 98.0+%, TCI America™

CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00016954 InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonym: daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone PubChem CID: 5281708 ChEBI: CHEBI:28197 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

PubChem CID 5281708
CAS 486-66-8
Molecular Weight (g/mol) 254.241
ChEBI CHEBI:28197
MDL Number MFCD00016954
SMILES C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
Synonym daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone
IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Molecular Formula C15H10O4
518

(+/-)-Equol 98.0+%, TCI America™

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-1-benzopyran-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-1-benzopyran-7-ol
InChI Key ADFCQWZHKCXPAJ-UHFFFAOYNA-N
Molecular Formula C15H14O3
519

4-Ethoxyphenyl 4-Butylbenzoate 99.0+%, TCI America™

CAS: 62716-65-8 Molecular Formula: C19H22O3 Molecular Weight (g/mol): 298.382 MDL Number: MFCD00059426 InChI Key: DDDWTNWRNNRWNQ-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-Ethoxyphenyl Ester PubChem CID: 595107 IUPAC Name: (4-ethoxyphenyl) 4-butylbenzoate SMILES: CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC

PubChem CID 595107
CAS 62716-65-8
Molecular Weight (g/mol) 298.382
MDL Number MFCD00059426
SMILES CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC
Synonym 4-Butylbenzoic Acid 4-Ethoxyphenyl Ester
IUPAC Name (4-ethoxyphenyl) 4-butylbenzoate
InChI Key DDDWTNWRNNRWNQ-UHFFFAOYSA-N
Molecular Formula C19H22O3
520

2-Carboxyphenyl Salicylate 98.0+%, TCI America™

CAS: 552-94-3 Molecular Formula: C14H10O5 Molecular Weight (g/mol): 258.229 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) 258.229
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
521

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

CAS: 94-01-9 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00016576 InChI Key: SUQGLJRNDJRARS-UHFFFAOYSA-N Synonym: 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate PubChem CID: 66742 IUPAC Name: 3-(benzoyloxy)phenyl benzoate SMILES: O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1

PubChem CID 66742
CAS 94-01-9
Molecular Weight (g/mol) 318.33
MDL Number MFCD00016576
SMILES O=C(OC1=CC(OC(=O)C2=CC=CC=C2)=CC=C1)C1=CC=CC=C1
Synonym 1,3-dibenzoyloxybenzene,resorcinol dibenzoate,1,3-benzenediol, dibenzoate,1,3-phenylene dibenzoate,m-phenylene dibenzoate,resorcinol, dibenzoate,1,3-bis benzoyloxy benzene,3-benzoyloxy phenyl benzoate,1,3-benzenediol, 1,3-dibenzoate,1,3-phenylenedibenzoate
IUPAC Name 3-(benzoyloxy)phenyl benzoate
InChI Key SUQGLJRNDJRARS-UHFFFAOYSA-N
Molecular Formula C20H14O4
522

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
523

4-n-Octyloxyphenyl 4-Butylbenzoate 98.0+%, TCI America™

CAS: 42815-59-8 Molecular Formula: C25H34O3 Molecular Weight (g/mol): 382.544 MDL Number: MFCD00060084 InChI Key: DESAJRHSCPKXHK-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester PubChem CID: 19013731 IUPAC Name: (4-octoxyphenyl) 4-butylbenzoate SMILES: CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

PubChem CID 19013731
CAS 42815-59-8
Molecular Weight (g/mol) 382.544
MDL Number MFCD00060084
SMILES CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
Synonym 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester
IUPAC Name (4-octoxyphenyl) 4-butylbenzoate
InChI Key DESAJRHSCPKXHK-UHFFFAOYSA-N
Molecular Formula C25H34O3
524

Anisoin 97.0+%, TCI America™

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)ethan-1-one 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)ethan-1-one
InChI Key LRRQSCPPOIUNGX-UHFFFAOYNA-N
Molecular Formula C16H16O4
525

Piceid 95.0+%, TCI America™

CAS: 27208-80-6 Molecular Formula: C20H22O8 Molecular Weight (g/mol): 390.388 MDL Number: MFCD00210592 InChI Key: HSTZMXCBWJGKHG-CUYWLFDKSA-N PubChem CID: 5281718 ChEBI: CHEBI:8198 IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O

PubChem CID 5281718
CAS 27208-80-6
Molecular Weight (g/mol) 390.388
ChEBI CHEBI:8198
MDL Number MFCD00210592
SMILES C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O
IUPAC Name (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key HSTZMXCBWJGKHG-CUYWLFDKSA-N
Molecular Formula C20H22O8