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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)
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Cinnamyl alcohols (60)
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Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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646 – 660 of 4,431 results
646

4'-Chlorochalcone 98.0+%, TCI America™

CAS: 956-02-5 Molecular Formula: C15H11ClO Molecular Weight (g/mol): 242.702 MDL Number: MFCD00016343 InChI Key: HIINIOLNGCQCSM-IZZDOVSWSA-N Synonym: 4'-chlorochalcone,1-4-chlorophenyl-3-phenylprop-2-en-1-one,2e-1-4-chlorophenyl-3-phenylprop-2-en-1-one,e-1-4-chlorophenyl-3-phenylprop-2-en-1-one,chalcone, 4'-chloro,2-propen-1-one, 1-4-chlorophenyl-3-phenyl,ketone, p-chlorophenyl styryl,benzylidene p-chloroacetophenone,4'-chlorchalkon,e-4'-chlorochalcone PubChem CID: 5377008 IUPAC Name: (E)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl

PubChem CID 5377008
CAS 956-02-5
Molecular Weight (g/mol) 242.702
MDL Number MFCD00016343
SMILES C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl
Synonym 4'-chlorochalcone,1-4-chlorophenyl-3-phenylprop-2-en-1-one,2e-1-4-chlorophenyl-3-phenylprop-2-en-1-one,e-1-4-chlorophenyl-3-phenylprop-2-en-1-one,chalcone, 4'-chloro,2-propen-1-one, 1-4-chlorophenyl-3-phenyl,ketone, p-chlorophenyl styryl,benzylidene p-chloroacetophenone,4'-chlorchalkon,e-4'-chlorochalcone
IUPAC Name (E)-1-(4-chlorophenyl)-3-phenylprop-2-en-1-one
InChI Key HIINIOLNGCQCSM-IZZDOVSWSA-N
Molecular Formula C15H11ClO
647

Amyl 4-(4-Ethoxyphenoxycarbonyl)phenyl Carbonate 95.0+%, TCI America™

CAS: 33926-46-4 Molecular Formula: C21H24O6 Molecular Weight (g/mol): 372.42 MDL Number: MFCD00059434 InChI Key: QVUSHDHMLLZBDM-UHFFFAOYSA-N Synonym: 4-(4-Ethoxyphenoxycarbonyl)phenyl Pentyl Carbonate PubChem CID: 578675 IUPAC Name: 4-ethoxyphenyl 4-{[(pentyloxy)carbonyl]oxy}benzoate SMILES: CCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC1=CC=C(OCC)C=C1

PubChem CID 578675
CAS 33926-46-4
Molecular Weight (g/mol) 372.42
MDL Number MFCD00059434
SMILES CCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC1=CC=C(OCC)C=C1
Synonym 4-(4-Ethoxyphenoxycarbonyl)phenyl Pentyl Carbonate
IUPAC Name 4-ethoxyphenyl 4-{[(pentyloxy)carbonyl]oxy}benzoate
InChI Key QVUSHDHMLLZBDM-UHFFFAOYSA-N
Molecular Formula C21H24O6
648

Camostat Mesylate 98.0+%, TCI America™

CAS: 59721-29-8 Molecular Formula: C21H26N4O8S Molecular Weight (g/mol): 494.52 MDL Number: MFCD00941410 InChI Key: FSEKIHNIDBATFG-UHFFFAOYSA-N Synonym: camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238 PubChem CID: 5284360 IUPAC Name: 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid SMILES: CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1

PubChem CID 5284360
CAS 59721-29-8
Molecular Weight (g/mol) 494.52
MDL Number MFCD00941410
SMILES CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(C=C2)N=C(N)N)C=C1
Synonym camostat mesylate,camostat mesilate,camostat methanesulfonate,camostat monomethanesulfonate,foipan,unii-451m50a1eq,dsstox_cid_238,dsstox_rid_75452,dsstox_gsid_20238
IUPAC Name 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid
InChI Key FSEKIHNIDBATFG-UHFFFAOYSA-N
Molecular Formula C21H26N4O8S
649

p-Tolyl Salicylate, TCI America™

CAS: 607-88-5 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00059616 InChI Key: AMYKXJAXRJCLCV-UHFFFAOYSA-N Synonym: p-Cresyl Salicylate, 4-Methylphenyl Salicylate, Salicylic Acid 4-Methylphenyl Ester, Salicylic Acid p-Tolyl Ester PubChem CID: 69091 IUPAC Name: (4-methylphenyl) 2-hydroxybenzoate SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 69091
CAS 607-88-5
Molecular Weight (g/mol) 228.247
MDL Number MFCD00059616
SMILES CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym p-Cresyl Salicylate, 4-Methylphenyl Salicylate, Salicylic Acid 4-Methylphenyl Ester, Salicylic Acid p-Tolyl Ester
IUPAC Name (4-methylphenyl) 2-hydroxybenzoate
InChI Key AMYKXJAXRJCLCV-UHFFFAOYSA-N
Molecular Formula C14H12O3
650

4,4',4″-Tris(benzoyloxy)trityl Bromide 97.0+%, TCI America™

CAS: 86610-66-4 Molecular Formula: C40H27BrO6 Molecular Weight (g/mol): 683.554 MDL Number: MFCD00010302 InChI Key: PKXTVZCJOBWKIG-UHFFFAOYSA-N Synonym: Tris[4-(phenylcarbonyloxy)phenyl]methyl Bromide PubChem CID: 3933738 IUPAC Name: [4-[bis(4-benzoyloxyphenyl)-bromomethyl]phenyl] benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)(C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6)Br

PubChem CID 3933738
CAS 86610-66-4
Molecular Weight (g/mol) 683.554
MDL Number MFCD00010302
SMILES C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)(C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6)Br
Synonym Tris[4-(phenylcarbonyloxy)phenyl]methyl Bromide
IUPAC Name [4-[bis(4-benzoyloxyphenyl)-bromomethyl]phenyl] benzoate
InChI Key PKXTVZCJOBWKIG-UHFFFAOYSA-N
Molecular Formula C40H27BrO6
651

3-Hydroxyphenyl Benzoate 95.0+%, TCI America™

CAS: 136-36-7 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00020118 InChI Key: GDESWOTWNNGOMW-UHFFFAOYSA-N Synonym: resorcinol monobenzoate,1,3-benzenediol, monobenzoate,eastman inhibitor rmb,resorcinol, monobenzoate,benzoic acid, m-hydroxyphenyl ester,3-benzoyloxyphenol,benzoic acid 3-hydroxyphenyl ester,unii-942e82kuwd,3-hydroxyphenyl benzoate,1,3-benzenediol, 1-benzoate PubChem CID: 8690 IUPAC Name: 3-hydroxyphenyl benzoate SMILES: OC1=CC=CC(OC(=O)C2=CC=CC=C2)=C1

PubChem CID 8690
CAS 136-36-7
Molecular Weight (g/mol) 214.22
MDL Number MFCD00020118
SMILES OC1=CC=CC(OC(=O)C2=CC=CC=C2)=C1
Synonym resorcinol monobenzoate,1,3-benzenediol, monobenzoate,eastman inhibitor rmb,resorcinol, monobenzoate,benzoic acid, m-hydroxyphenyl ester,3-benzoyloxyphenol,benzoic acid 3-hydroxyphenyl ester,unii-942e82kuwd,3-hydroxyphenyl benzoate,1,3-benzenediol, 1-benzoate
IUPAC Name 3-hydroxyphenyl benzoate
InChI Key GDESWOTWNNGOMW-UHFFFAOYSA-N
Molecular Formula C13H10O3
652

4-Methoxyphenyl 4-(3-Butenyloxy)benzoate 98.0+%, TCI America™

CAS: 76487-56-4 Molecular Formula: C18H18O4 Molecular Weight (g/mol): 298.34 MDL Number: MFCD00143337 InChI Key: CXPLNUIZUUBDCU-UHFFFAOYSA-N Synonym: 4-(3-Butenyloxy)benzoic Acid 4-Methoxyphenyl Ester PubChem CID: 144778 IUPAC Name: 4-methoxyphenyl 4-(but-3-en-1-yloxy)benzoate SMILES: COC1=CC=C(OC(=O)C2=CC=C(OCCC=C)C=C2)C=C1

PubChem CID 144778
CAS 76487-56-4
Molecular Weight (g/mol) 298.34
MDL Number MFCD00143337
SMILES COC1=CC=C(OC(=O)C2=CC=C(OCCC=C)C=C2)C=C1
Synonym 4-(3-Butenyloxy)benzoic Acid 4-Methoxyphenyl Ester
IUPAC Name 4-methoxyphenyl 4-(but-3-en-1-yloxy)benzoate
InChI Key CXPLNUIZUUBDCU-UHFFFAOYSA-N
Molecular Formula C18H18O4
653

(S)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate 98.0+%, TCI America™

CAS: 87321-20-8 Molecular Formula: C28H38O5 Molecular Weight (g/mol): 454.607 MDL Number: MFCD01941070 InChI Key: PLGPDUBTEHIWRH-QFIPXVFZSA-N Synonym: 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester PubChem CID: 22845344 IUPAC Name: [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate SMILES: CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC

PubChem CID 22845344
CAS 87321-20-8
Molecular Weight (g/mol) 454.607
MDL Number MFCD01941070
SMILES CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
Synonym 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester
IUPAC Name [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate
InChI Key PLGPDUBTEHIWRH-QFIPXVFZSA-N
Molecular Formula C28H38O5
654

4,4'-Dimethylbenzoin 98.0+%, TCI America™

CAS: 1218-89-9 Molecular Formula: C16H16O2 Molecular Weight (g/mol): 240.302 MDL Number: MFCD00008555 InChI Key: NBYSFWKNMLCZLO-UHFFFAOYSA-N PubChem CID: 224848 IUPAC Name: 2-hydroxy-1,2-bis(4-methylphenyl)ethanone SMILES: CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)O

PubChem CID 224848
CAS 1218-89-9
Molecular Weight (g/mol) 240.302
MDL Number MFCD00008555
SMILES CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)O
IUPAC Name 2-hydroxy-1,2-bis(4-methylphenyl)ethanone
InChI Key NBYSFWKNMLCZLO-UHFFFAOYSA-N
Molecular Formula C16H16O2
655

Disodium 4,4'-Bis(2-sulfonatostyryl)biphenyl 97.0+%, TCI America™

CAS: 27344-41-8 Molecular Formula: C28H20Na2O6S2 Molecular Weight (g/mol): 562.56 MDL Number: MFCD00318874,MFCD00318874 InChI Key: PMPJQLCPEQFEJW-GNTLFSRWSA-L PubChem CID: 87075690 IUPAC Name: disodium 2-[(1Z)-2-{4'-[(1Z)-2-(2-sulfonatophenyl)ethenyl]-[1,1'-biphenyl]-4-yl}ethenyl]benzene-1-sulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1\C=C/C1=CC=C(C=C1)C1=CC=C(\C=C/C2=CC=CC=C2S([O-])(=O)=O)C=C1

PubChem CID 87075690
CAS 27344-41-8
Molecular Weight (g/mol) 562.56
MDL Number MFCD00318874,MFCD00318874
SMILES [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1\C=C/C1=CC=C(C=C1)C1=CC=C(\C=C/C2=CC=CC=C2S([O-])(=O)=O)C=C1
IUPAC Name disodium 2-[(1Z)-2-{4'-[(1Z)-2-(2-sulfonatophenyl)ethenyl]-[1,1'-biphenyl]-4-yl}ethenyl]benzene-1-sulfonate
InChI Key PMPJQLCPEQFEJW-GNTLFSRWSA-L
Molecular Formula C28H20Na2O6S2
656

Benzoin Methyl Ether 98.0+%, TCI America™

CAS: 3524-62-7 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00008492 InChI Key: BQZJOQXSCSZQPS-UHFFFAOYSA-N Synonym: benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin PubChem CID: 98097 IUPAC Name: 2-methoxy-1,2-diphenylethanone SMILES: COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

PubChem CID 98097
CAS 3524-62-7
Molecular Weight (g/mol) 226.275
MDL Number MFCD00008492
SMILES COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
Synonym benzoin methyl ether,methyl benzoin,benzoin methyl ester,o-methylbenzoin,2-methoxy-2-phenylacetophenone,nisso cure mbo,ethanone, 2-methoxy-1,2-diphenyl,acetophenone, 2-methoxy-2-phenyl,qcu 3,alpha-methoxydeoxybenzoin
IUPAC Name 2-methoxy-1,2-diphenylethanone
InChI Key BQZJOQXSCSZQPS-UHFFFAOYSA-N
Molecular Formula C15H14O2
657

Benzoin Isopropyl Ether 99.0+%, TCI America™

CAS: 6652-28-4 Molecular Formula: C17H18O2 Molecular Weight (g/mol): 254.33 MDL Number: MFCD00015025 InChI Key: MSAHTMIQULFMRG-UHFFFAOYNA-N Synonym: benzoin isopropyl ether,2-isopropoxy-1,2-diphenylethanone,ethanone, 2-1-methylethoxy-1,2-diphenyl,2-isopropoxy-2-phenylacetophenone,benzoinisopropylether,acetophenone, 2-isopropoxy-2-phenyl,cbmicro_021426,2-1-methylethoxy-1,2-diphenylethan-1-one,cambridge id 5476007 PubChem CID: 110912 IUPAC Name: 1,2-diphenyl-2-(propan-2-yloxy)ethan-1-one SMILES: CC(C)OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 110912
CAS 6652-28-4
Molecular Weight (g/mol) 254.33
MDL Number MFCD00015025
SMILES CC(C)OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym benzoin isopropyl ether,2-isopropoxy-1,2-diphenylethanone,ethanone, 2-1-methylethoxy-1,2-diphenyl,2-isopropoxy-2-phenylacetophenone,benzoinisopropylether,acetophenone, 2-isopropoxy-2-phenyl,cbmicro_021426,2-1-methylethoxy-1,2-diphenylethan-1-one,cambridge id 5476007
IUPAC Name 1,2-diphenyl-2-(propan-2-yloxy)ethan-1-one
InChI Key MSAHTMIQULFMRG-UHFFFAOYNA-N
Molecular Formula C17H18O2
658

3-Cyanoumbelliferone 98.0+%, TCI America™

CAS: 19088-73-4 Molecular Formula: C10H5NO3 Molecular Weight (g/mol): 187.15 MDL Number: MFCD00037480 InChI Key: IJQYTHQDUDCJEQ-UHFFFAOYSA-N Synonym: 3-Cyano-7-hydroxycoumarin PubChem CID: 5393173 IUPAC Name: 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile SMILES: OC1=CC=C2C=C(C#N)C(=O)OC2=C1

PubChem CID 5393173
CAS 19088-73-4
Molecular Weight (g/mol) 187.15
MDL Number MFCD00037480
SMILES OC1=CC=C2C=C(C#N)C(=O)OC2=C1
Synonym 3-Cyano-7-hydroxycoumarin
IUPAC Name 7-hydroxy-2-oxo-2H-chromene-3-carbonitrile
InChI Key IJQYTHQDUDCJEQ-UHFFFAOYSA-N
Molecular Formula C10H5NO3
659

4-Bromomethyl-6,7-dimethoxycoumarin 98.0+%, TCI America™

CAS: 88404-25-5 Molecular Formula: C12H11BrO4 Molecular Weight (g/mol): 299.12 MDL Number: MFCD00011570 InChI Key: JGODLBJJCNQFII-UHFFFAOYSA-N Synonym: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran PubChem CID: 128870 IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC

PubChem CID 128870
CAS 88404-25-5
Molecular Weight (g/mol) 299.12
MDL Number MFCD00011570
SMILES COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Synonym 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran
IUPAC Name 4-(bromomethyl)-6,7-dimethoxychromen-2-one
InChI Key JGODLBJJCNQFII-UHFFFAOYSA-N
Molecular Formula C12H11BrO4
660

6-Bromocoumarin-3-carboxylic Acid 98.0+%, TCI America™

CAS: 2199-87-3 Molecular Formula: C10H5BrO4 Molecular Weight (g/mol): 269.05 MDL Number: MFCD00047640 InChI Key: XFQHPAXNKDYMOX-UHFFFAOYSA-N PubChem CID: 694463 IUPAC Name: 6-bromo-2-oxochromene-3-carboxylic acid SMILES: C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)O

PubChem CID 694463
CAS 2199-87-3
Molecular Weight (g/mol) 269.05
MDL Number MFCD00047640
SMILES C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)O
IUPAC Name 6-bromo-2-oxochromene-3-carboxylic acid
InChI Key XFQHPAXNKDYMOX-UHFFFAOYSA-N
Molecular Formula C10H5BrO4