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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 (715)
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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511 – 525 of 4,456 results
511

7-Amino-4-methylcoumarin 98.0+%, TCI America™

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

PubChem CID 92249
CAS 26093-31-2
Molecular Weight (g/mol) 175.19
ChEBI CHEBI:51771
MDL Number MFCD00006868
SMILES CC1=CC(=O)OC2=CC(N)=CC=C12
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
IUPAC Name 7-amino-4-methyl-2H-chromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
512

7-(Dimethylamino)-4-(trifluoromethyl)coumarin 97.0+%, TCI America™

CAS: 53518-14-2 Molecular Formula: C12H10F3NO2 Molecular Weight (g/mol): 257.21 MDL Number: MFCD00041867 InChI Key: KDTAEYOYAZPLIC-UHFFFAOYSA-N Synonym: coumarin 152,7-dimethylamino-4-trifluoromethyl coumarin,2h-1-benzopyran-2-one, 7-dimethylamino-4-trifluoromethyl,7-dimethylamino-4-trifluoromethylcoumarin,7-dimethylamino-4-trifluoromethyl chromen-2-one,7-dimethylamino-4-trifluoromethyl-2h-chromen-2-one,coumarin-152,acmc-209l8g,7-nme2-4-cf3-coumarin,7-dimethylamino-4-trifluoromethyl-2-benzopyrone PubChem CID: 104522 ChEBI: CHEBI:51775 IUPAC Name: 7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one SMILES: CN(C)C1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1

PubChem CID 104522
CAS 53518-14-2
Molecular Weight (g/mol) 257.21
ChEBI CHEBI:51775
MDL Number MFCD00041867
SMILES CN(C)C1=CC=C2C(OC(=O)C=C2C(F)(F)F)=C1
Synonym coumarin 152,7-dimethylamino-4-trifluoromethyl coumarin,2h-1-benzopyran-2-one, 7-dimethylamino-4-trifluoromethyl,7-dimethylamino-4-trifluoromethylcoumarin,7-dimethylamino-4-trifluoromethyl chromen-2-one,7-dimethylamino-4-trifluoromethyl-2h-chromen-2-one,coumarin-152,acmc-209l8g,7-nme2-4-cf3-coumarin,7-dimethylamino-4-trifluoromethyl-2-benzopyrone
IUPAC Name 7-(dimethylamino)-4-(trifluoromethyl)-2H-chromen-2-one
InChI Key KDTAEYOYAZPLIC-UHFFFAOYSA-N
Molecular Formula C12H10F3NO2
513

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
514

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
515

6-Fluoro-4-hydroxycoumarin 98.0+%, TCI America™

CAS: 1994-13-4 Molecular Formula: C9H5FO3 Molecular Weight (g/mol): 180.13 MDL Number: MFCD03094006 InChI Key: JCOYNGQUPPGRNB-UHFFFAOYSA-N PubChem CID: 54691406 IUPAC Name: 6-fluoro-4-hydroxy-2H-chromen-2-one SMILES: OC1=CC(=O)OC2=CC=C(F)C=C12

PubChem CID 54691406
CAS 1994-13-4
Molecular Weight (g/mol) 180.13
MDL Number MFCD03094006
SMILES OC1=CC(=O)OC2=CC=C(F)C=C12
IUPAC Name 6-fluoro-4-hydroxy-2H-chromen-2-one
InChI Key JCOYNGQUPPGRNB-UHFFFAOYSA-N
Molecular Formula C9H5FO3
516

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
517

Diphenyl Isophthalate 99.0+%, TCI America™

CAS: 744-45-6 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.328 MDL Number: MFCD00046051 InChI Key: FHESUNXRPBHDQM-UHFFFAOYSA-N Synonym: diphenyl isophthalate,diphenyl m-phthalate,diphenylisophthalate,unii-wh4w31qij8,1,3-benzenedicarboxylic acid, diphenyl ester,isophthalic acid diphenyl ester,isophthalic acid, diphenyl ester,wh4w31qij8,1,3-benzenedicarboxylic acid, 1,3-diphenyl ester,1,3-diphenyl benzene-1,3-dicarboxylate PubChem CID: 69779 IUPAC Name: diphenyl benzene-1,3-dicarboxylate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3

PubChem CID 69779
CAS 744-45-6
Molecular Weight (g/mol) 318.328
MDL Number MFCD00046051
SMILES C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3
Synonym diphenyl isophthalate,diphenyl m-phthalate,diphenylisophthalate,unii-wh4w31qij8,1,3-benzenedicarboxylic acid, diphenyl ester,isophthalic acid diphenyl ester,isophthalic acid, diphenyl ester,wh4w31qij8,1,3-benzenedicarboxylic acid, 1,3-diphenyl ester,1,3-diphenyl benzene-1,3-dicarboxylate
IUPAC Name diphenyl benzene-1,3-dicarboxylate
InChI Key FHESUNXRPBHDQM-UHFFFAOYSA-N
Molecular Formula C20H14O4
518

4-Cyanophenyl 4-(3-Butenyloxy)benzoate 97.0+%, TCI America™

CAS: 114482-57-4 Molecular Formula: C18H15NO3 Molecular Weight (g/mol): 293.322 MDL Number: MFCD00191384 InChI Key: XGRKLNHEYFRXFW-UHFFFAOYSA-N Synonym: 4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester PubChem CID: 600247 IUPAC Name: (4-cyanophenyl) 4-but-3-enoxybenzoate SMILES: C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

PubChem CID 600247
CAS 114482-57-4
Molecular Weight (g/mol) 293.322
MDL Number MFCD00191384
SMILES C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
Synonym 4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester
IUPAC Name (4-cyanophenyl) 4-but-3-enoxybenzoate
InChI Key XGRKLNHEYFRXFW-UHFFFAOYSA-N
Molecular Formula C18H15NO3
519

Phenyl Benzoate 99.0+%, TCI America™

CAS: 93-99-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00003072 InChI Key: FCJSHPDYVMKCHI-UHFFFAOYSA-N Synonym: benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210 PubChem CID: 7169 ChEBI: CHEBI:86919 IUPAC Name: phenyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

PubChem CID 7169
CAS 93-99-2
Molecular Weight (g/mol) 198.221
ChEBI CHEBI:86919
MDL Number MFCD00003072
SMILES C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Synonym benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210
IUPAC Name phenyl benzoate
InChI Key FCJSHPDYVMKCHI-UHFFFAOYSA-N
Molecular Formula C13H10O2
520

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
521

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
522

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
523

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
524

4-Aminophenyl 4-Aminobenzoate 97.0+%, TCI America™

CAS: 20610-77-9 Molecular Formula: C13H12N2O2 Molecular Weight (g/mol): 228.25 MDL Number: MFCD16038468 InChI Key: LOCTYHIHNCOYJZ-UHFFFAOYSA-N Synonym: 4-Aminobenzoic Acid 4-Aminophenyl Ester PubChem CID: 15491725 IUPAC Name: 4-aminophenyl 4-aminobenzoate SMILES: NC1=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1

PubChem CID 15491725
CAS 20610-77-9
Molecular Weight (g/mol) 228.25
MDL Number MFCD16038468
SMILES NC1=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1
Synonym 4-Aminobenzoic Acid 4-Aminophenyl Ester
IUPAC Name 4-aminophenyl 4-aminobenzoate
InChI Key LOCTYHIHNCOYJZ-UHFFFAOYSA-N
Molecular Formula C13H12N2O2
525

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