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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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571 – 585 of 4,456 results
571

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
572

4-Chlorophenyl Benzoate 99.0+%, TCI America™

CAS: 8-5-2005 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD00040854 InChI Key: JKSIXXOEIXUYFW-UHFFFAOYSA-N Synonym: benzoic acid, 4-chlorophenyl ester,p-chlorophenol benzoate,p-chlorophenyl benzoate,benzoic acid 4-chlorophenyl ester,benzoic acid, p-chlorophenyl ester,4-chlorophenylbenzoate,acmc-1cina,cbmicro_005244,4-chlorophenyl benzoate PubChem CID: 347761 IUPAC Name: (4-chlorophenyl) benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl

PubChem CID 347761
CAS 8-5-2005
Molecular Weight (g/mol) 232.66
MDL Number MFCD00040854
SMILES C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl
Synonym benzoic acid, 4-chlorophenyl ester,p-chlorophenol benzoate,p-chlorophenyl benzoate,benzoic acid 4-chlorophenyl ester,benzoic acid, p-chlorophenyl ester,4-chlorophenylbenzoate,acmc-1cina,cbmicro_005244,4-chlorophenyl benzoate
IUPAC Name (4-chlorophenyl) benzoate
InChI Key JKSIXXOEIXUYFW-UHFFFAOYSA-N
Molecular Formula C13H9ClO2
573

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
574

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
575

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
576

Ozagrel Hydrochloride Hydrate 98.0+%, TCI America™

CAS: 78712-43-3 Molecular Formula: C13H13ClN2O2 Molecular Weight (g/mol): 264.709 MDL Number: MFCD06795644 InChI Key: CWKFWBJJNNPGAM-IPZCTEOASA-N Synonym: (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic Acid Hydrochloride, trans-4-[(1-Imidazolyl)methyl]cinnamic Acid Hydrochloride PubChem CID: 6438130 ChEBI: CHEBI:31954 IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride SMILES: C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O.Cl

PubChem CID 6438130
CAS 78712-43-3
Molecular Weight (g/mol) 264.709
ChEBI CHEBI:31954
MDL Number MFCD06795644
SMILES C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O.Cl
Synonym (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic Acid Hydrochloride, trans-4-[(1-Imidazolyl)methyl]cinnamic Acid Hydrochloride
IUPAC Name (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
InChI Key CWKFWBJJNNPGAM-IPZCTEOASA-N
Molecular Formula C13H13ClN2O2
577

4-(Trifluoromethyl)cinnamic Acid 98.0+%, TCI America™

CAS: 16642-92-5 Molecular Formula: C10H6F3O2 Molecular Weight (g/mol): 215.15 MDL Number: MFCD00002696 InChI Key: ANRMAUMHJREENI-ZZXKWVIFSA-M Synonym: 4-trifluoromethyl cinnamic acid,trans-4-trifluoromethyl cinnamic acid,p-trifluoromethyl cinnamic acid,e-3-4-trifluoromethyl phenyl acrylic acid,2e-3-4-trifluoromethyl phenyl prop-2-enoic acid,4-trifluoromethylcinnamic acid,2-propenoic acid, 3-4-trifluoromethyl phenyl,3-4-trifluoromethyl-phenyl-acrylic acid,ptf-cna,trans-4-trifluoromethylcinnamic acid PubChem CID: 688070 ChEBI: CHEBI:60705 IUPAC Name: (2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate SMILES: [O-]C(=O)\C=C\C1=CC=C(C=C1)C(F)(F)F

PubChem CID 688070
CAS 16642-92-5
Molecular Weight (g/mol) 215.15
ChEBI CHEBI:60705
MDL Number MFCD00002696
SMILES [O-]C(=O)\C=C\C1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl cinnamic acid,trans-4-trifluoromethyl cinnamic acid,p-trifluoromethyl cinnamic acid,e-3-4-trifluoromethyl phenyl acrylic acid,2e-3-4-trifluoromethyl phenyl prop-2-enoic acid,4-trifluoromethylcinnamic acid,2-propenoic acid, 3-4-trifluoromethyl phenyl,3-4-trifluoromethyl-phenyl-acrylic acid,ptf-cna,trans-4-trifluoromethylcinnamic acid
IUPAC Name (2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
InChI Key ANRMAUMHJREENI-ZZXKWVIFSA-M
Molecular Formula C10H6F3O2
578

trans-3,5-Difluorocinnamic Acid 98.0+%, TCI America™

CAS: 147700-58-1 Molecular Formula: C9H6F2O2 Molecular Weight (g/mol): 184.142 MDL Number: MFCD00010321 InChI Key: MBAWRXICVNIUGY-OWOJBTEDSA-N Synonym: 3,5-difluorocinnamic acid,trans-3,5-difluorocinnamic acid,3,5-difluorocinnamicacid,e-3-3,5-difluorophenyl acrylic acid,3-3,5-difluorophenyl acrylic acid,2e-3-3,5-difluorophenyl prop-2-enoic acid,2e-3-3,5-difluorophenyl acrylic acid,rarechem bk hw 0255,timtec-bb sbb006675,3-3,5-difluorophenyl propenoic acid PubChem CID: 5374941 IUPAC Name: (E)-3-(3,5-difluorophenyl)prop-2-enoic acid SMILES: C1=C(C=C(C=C1F)F)C=CC(=O)O

PubChem CID 5374941
CAS 147700-58-1
Molecular Weight (g/mol) 184.142
MDL Number MFCD00010321
SMILES C1=C(C=C(C=C1F)F)C=CC(=O)O
Synonym 3,5-difluorocinnamic acid,trans-3,5-difluorocinnamic acid,3,5-difluorocinnamicacid,e-3-3,5-difluorophenyl acrylic acid,3-3,5-difluorophenyl acrylic acid,2e-3-3,5-difluorophenyl prop-2-enoic acid,2e-3-3,5-difluorophenyl acrylic acid,rarechem bk hw 0255,timtec-bb sbb006675,3-3,5-difluorophenyl propenoic acid
IUPAC Name (E)-3-(3,5-difluorophenyl)prop-2-enoic acid
InChI Key MBAWRXICVNIUGY-OWOJBTEDSA-N
Molecular Formula C9H6F2O2
579

2,3,4-Trimethoxycinnamic Acid 98.0+%, TCI America™

CAS: 33130-03-9 Molecular Formula: C12H14O5 Molecular Weight (g/mol): 238.239 MDL Number: MFCD00014376 InChI Key: ZYOPDNLIHHFGEC-FNORWQNLSA-N Synonym: 2,3,4-trimethoxycinnamic acid,trans-2,3,4-trimethoxycinnamic acid,3-2,3,4-trimethoxyphenyl acrylic acid,2e-3-2,3,4-trimethoxyphenyl prop-2-enoic acid,2-propenoic acid, 3-2,3,4-trimethoxyphenyl,3-2,3,4-trimethoxyphenyl propenoic acid,trans-2, 3, 4-trimethoxycinnamate,2e-3-2,3,4-trimethoxyphenyl-2-propenoic acid,e-3-2,3,4-trimethoxyphenyl acrylic acid,2e-3-2,3,4-trimethoxyphenyl acrylic acid PubChem CID: 735841 IUPAC Name: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C(=C(C=C1)C=CC(=O)O)OC)OC

PubChem CID 735841
CAS 33130-03-9
Molecular Weight (g/mol) 238.239
MDL Number MFCD00014376
SMILES COC1=C(C(=C(C=C1)C=CC(=O)O)OC)OC
Synonym 2,3,4-trimethoxycinnamic acid,trans-2,3,4-trimethoxycinnamic acid,3-2,3,4-trimethoxyphenyl acrylic acid,2e-3-2,3,4-trimethoxyphenyl prop-2-enoic acid,2-propenoic acid, 3-2,3,4-trimethoxyphenyl,3-2,3,4-trimethoxyphenyl propenoic acid,trans-2, 3, 4-trimethoxycinnamate,2e-3-2,3,4-trimethoxyphenyl-2-propenoic acid,e-3-2,3,4-trimethoxyphenyl acrylic acid,2e-3-2,3,4-trimethoxyphenyl acrylic acid
IUPAC Name (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
InChI Key ZYOPDNLIHHFGEC-FNORWQNLSA-N
Molecular Formula C12H14O5
580

4-(4-Hydroxyphenyl)-3-buten-2-one 98.0+%, TCI America™

CAS: 3160-35-8 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016490 InChI Key: OCNIKEFATSKIBE-NSCUHMNNSA-N Synonym: p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl PubChem CID: 796857 IUPAC Name: (3E)-4-(4-hydroxyphenyl)but-3-en-2-one SMILES: CC(=O)\C=C\C1=CC=C(O)C=C1

PubChem CID 796857
CAS 3160-35-8
Molecular Weight (g/mol) 162.19
MDL Number MFCD00016490
SMILES CC(=O)\C=C\C1=CC=C(O)C=C1
Synonym p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl
IUPAC Name (3E)-4-(4-hydroxyphenyl)but-3-en-2-one
InChI Key OCNIKEFATSKIBE-NSCUHMNNSA-N
Molecular Formula C10H10O2
581

trans-2,5-Dichlorocinnamic Acid 96.0+%, TCI America™

CAS: 20595-47-5 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD03002786 InChI Key: LYYBVUOVYNSRSE-DAFODLJHSA-N Synonym: trans-3-(2,5-Dichlorophenyl)-2-propenoic Acid PubChem CID: 7014934 IUPAC Name: (E)-3-(2,5-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1Cl)C=CC(=O)O)Cl

PubChem CID 7014934
CAS 20595-47-5
Molecular Weight (g/mol) 217.045
MDL Number MFCD03002786
SMILES C1=CC(=C(C=C1Cl)C=CC(=O)O)Cl
Synonym trans-3-(2,5-Dichlorophenyl)-2-propenoic Acid
IUPAC Name (E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
InChI Key LYYBVUOVYNSRSE-DAFODLJHSA-N
Molecular Formula C9H6Cl2O2
582

2-Methylcinnamic Acid 98.0+%, TCI America™

CAS: 2373-76-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00016841 InChI Key: RSWBWHPZXKLUEX-VOTSOKGWSA-N Synonym: 2-methylcinnamic acid,3-o-tolyl acrylic acid,o-methylcinnamic acid,2-methylcinnamic acid, predominantly trans,2e-3-2-methylphenyl acrylic acid,e-3-2-methylphenyl-2-propenoic acid,2e-3-2-methylphenyl prop-2-enoic acid,e-3-o-tolyl acrylic acid,e-3-o-tolylacrylic acid,3-o-tolyl-acrylic acid PubChem CID: 819020 IUPAC Name: (E)-3-(2-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=CC=C1C=CC(=O)O

PubChem CID 819020
CAS 2373-76-4
Molecular Weight (g/mol) 162.188
MDL Number MFCD00016841
SMILES CC1=CC=CC=C1C=CC(=O)O
Synonym 2-methylcinnamic acid,3-o-tolyl acrylic acid,o-methylcinnamic acid,2-methylcinnamic acid, predominantly trans,2e-3-2-methylphenyl acrylic acid,e-3-2-methylphenyl-2-propenoic acid,2e-3-2-methylphenyl prop-2-enoic acid,e-3-o-tolyl acrylic acid,e-3-o-tolylacrylic acid,3-o-tolyl-acrylic acid
IUPAC Name (E)-3-(2-methylphenyl)prop-2-enoic acid
InChI Key RSWBWHPZXKLUEX-VOTSOKGWSA-N
Molecular Formula C10H10O2
583

4-[(4-Methoxybenzylidene)amino]cinnamic Acid 98.0+%, TCI America™

CAS: 25959-50-6 Molecular Formula: C17H15NO3 Molecular Weight (g/mol): 281.311 MDL Number: MFCD00021777 InChI Key: UIELBEHBZKVMEI-MGGYQKONSA-N Synonym: 4-(p-Anisalamino)cinnamic Acid, 4-[(p-Anisylidene)amino]cinnamic Acid PubChem CID: 5357579 IUPAC Name: (Z)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)O

PubChem CID 5357579
CAS 25959-50-6
Molecular Weight (g/mol) 281.311
MDL Number MFCD00021777
SMILES COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)O
Synonym 4-(p-Anisalamino)cinnamic Acid, 4-[(p-Anisylidene)amino]cinnamic Acid
IUPAC Name (Z)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoic acid
InChI Key UIELBEHBZKVMEI-MGGYQKONSA-N
Molecular Formula C17H15NO3
584

(E)-4-Aminocinnamic Acid 98.0+%, TCI America™

CAS: 17570-30-8 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00017117 InChI Key: JOLPMPPNHIACPD-ZZXKWVIFSA-N Synonym: (E)-3-(4-Aminophenyl)acrylic Acid PubChem CID: 1549514 IUPAC Name: (E)-3-(4-aminophenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)N

PubChem CID 1549514
CAS 17570-30-8
Molecular Weight (g/mol) 163.176
MDL Number MFCD00017117
SMILES C1=CC(=CC=C1C=CC(=O)O)N
Synonym (E)-3-(4-Aminophenyl)acrylic Acid
IUPAC Name (E)-3-(4-aminophenyl)prop-2-enoic acid
InChI Key JOLPMPPNHIACPD-ZZXKWVIFSA-N
Molecular Formula C9H9NO2
585

2-Chloro-5-nitrocinnamic Acid 97.0+%, TCI America™

CAS: 36015-19-7 Molecular Formula: C9H5ClNO4 Molecular Weight (g/mol): 226.59 MDL Number: MFCD00063312 InChI Key: IHTLKLSRRSWIGD-DAFODLJHSA-M Synonym: 2-chloro-5-nitrocinnamic acid,2e-3-2-chloro-5-nitrophenyl prop-2-enoic acid,3-2-chloro-5-nitrophenyl acrylic acid,3-2-chloro-5-nitrophenyl propenoic acid,2-chloro-5-nitrocinnamic acid, predominantly trans,2e-3-2-chloro-5-nitrophenyl-2-propenoic acid,e-3-2-chloro-5-nitrophenyl prop-2-enoic acid,2e-3-2-chloro-5-nitrophenyl-2-propenoic acid # PubChem CID: 6921604 IUPAC Name: (2E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate SMILES: [O-]C(=O)\C=C\C1=CC(=CC=C1Cl)[N+]([O-])=O

PubChem CID 6921604
CAS 36015-19-7
Molecular Weight (g/mol) 226.59
MDL Number MFCD00063312
SMILES [O-]C(=O)\C=C\C1=CC(=CC=C1Cl)[N+]([O-])=O
Synonym 2-chloro-5-nitrocinnamic acid,2e-3-2-chloro-5-nitrophenyl prop-2-enoic acid,3-2-chloro-5-nitrophenyl acrylic acid,3-2-chloro-5-nitrophenyl propenoic acid,2-chloro-5-nitrocinnamic acid, predominantly trans,2e-3-2-chloro-5-nitrophenyl-2-propenoic acid,e-3-2-chloro-5-nitrophenyl prop-2-enoic acid,2e-3-2-chloro-5-nitrophenyl-2-propenoic acid #
IUPAC Name (2E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate
InChI Key IHTLKLSRRSWIGD-DAFODLJHSA-M
Molecular Formula C9H5ClNO4