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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.
Flavonoids (890)
Cinnamic acids and derivatives (865)
Coumarins and derivatives (685)
Linear 1 3-diarylpropanoids (472)
Phenylpropanoic acids (332)
Depsides and depsidones (304)
Isoflavonoids (206)
Cinnamaldehydes (119)
Stilbenes (105)
Macrolide lactams (84)
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Cinnamyl alcohols (60)
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Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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676 – 690 of 3,687 results
676

Flavanone 98.0+%, TCI America™

CAS: 487-26-3 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00006841 InChI Key: ZONYXWQDUYMKFB-UHFFFAOYNA-N Synonym: flavanone,2-phenylchroman-4-one,2,3-dihydroflavone,2-phenyl-4-chromanone,4-flavanone,2,3-dihydro-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-2-phenyl,2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-2-phenyl-4h-benzopyran-4-one,2-phenyl-3,4-dihydro-2h-1-benzopyran-4-one PubChem CID: 10251 ChEBI: CHEBI:5070 IUPAC Name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one SMILES: O=C1CC(OC2=CC=CC=C12)C1=CC=CC=C1

PubChem CID 10251
CAS 487-26-3
Molecular Weight (g/mol) 224.26
ChEBI CHEBI:5070
MDL Number MFCD00006841
SMILES O=C1CC(OC2=CC=CC=C12)C1=CC=CC=C1
Synonym flavanone,2-phenylchroman-4-one,2,3-dihydroflavone,2-phenyl-4-chromanone,4-flavanone,2,3-dihydro-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-2-phenyl,2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-2-phenyl-4h-benzopyran-4-one,2-phenyl-3,4-dihydro-2h-1-benzopyran-4-one
IUPAC Name 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key ZONYXWQDUYMKFB-UHFFFAOYNA-N
Molecular Formula C15H12O2
677

7-Hydroxyflavone 97.0+%, TCI America™

CAS: 6665-86-7 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.242 MDL Number: MFCD00006835 InChI Key: MQGPSCMMNJKMHQ-UHFFFAOYSA-N Synonym: 7-hydroxyflavone,flavone, 7-hydroxy,7-hydroxy-2-phenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-2-phenyl,7-hydroxy-2-phenyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 7-hydroxy,unii-ze72458e4l,7-hydroxy-2-phenyl-chromen-4-one,7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,7-hydroxyflavone, 11 PubChem CID: 5281894 ChEBI: CHEBI:2268 IUPAC Name: 7-hydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O

PubChem CID 5281894
CAS 6665-86-7
Molecular Weight (g/mol) 238.242
ChEBI CHEBI:2268
MDL Number MFCD00006835
SMILES C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O
Synonym 7-hydroxyflavone,flavone, 7-hydroxy,7-hydroxy-2-phenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-2-phenyl,7-hydroxy-2-phenyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 7-hydroxy,unii-ze72458e4l,7-hydroxy-2-phenyl-chromen-4-one,7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,7-hydroxyflavone, 11
IUPAC Name 7-hydroxy-2-phenylchromen-4-one
InChI Key MQGPSCMMNJKMHQ-UHFFFAOYSA-N
Molecular Formula C15H10O3
678

2-Hydroxycinnamaldehyde 98.0+%, TCI America™

CAS: 3541-42-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD01736614 InChI Key: BSDNZCQPDVTDET-HWKANZROSA-N Synonym: 3-(2-Hydroxyphenyl)-2-propenal, 3-(2-Hydroxyphenyl)acrylaldehyde PubChem CID: 5318169 IUPAC Name: (E)-3-(2-hydroxyphenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)O

PubChem CID 5318169
CAS 3541-42-2
Molecular Weight (g/mol) 148.161
MDL Number MFCD01736614
SMILES C1=CC=C(C(=C1)C=CC=O)O
Synonym 3-(2-Hydroxyphenyl)-2-propenal, 3-(2-Hydroxyphenyl)acrylaldehyde
IUPAC Name (E)-3-(2-hydroxyphenyl)prop-2-enal
InChI Key BSDNZCQPDVTDET-HWKANZROSA-N
Molecular Formula C9H8O2
679

alpha-Bromocinnamaldehyde 98.0+%, TCI America™

CAS: 5443-49-2 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00006965 InChI Key: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonym: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo PubChem CID: 5369403 IUPAC Name: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br

PubChem CID 5369403
CAS 5443-49-2
Molecular Weight (g/mol) 211.058
MDL Number MFCD00006965
SMILES C1=CC=C(C=C1)C=C(C=O)Br
Synonym alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo
IUPAC Name (Z)-2-bromo-3-phenylprop-2-enal
InChI Key WQRWNOKNRHCLHV-TWGQIWQCSA-N
Molecular Formula C9H7BrO
680

alpha-Methylcinnamaldehyde 95.0+%, TCI America™

CAS: 101-39-3 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00006976 InChI Key: VLUMOWNVWOXZAU-CLFYSBASSA-N Synonym: alpha-methylcinnamaldehyde,a-methylcinnamaldehyde,2-propenal, 2-methyl-3-phenyl,2-methyl-3-phenylprop-2-enal,e-2-methyl-3-phenylpropenal,2-methyl-3-phenylacrylaldehyde,e-2-methyl-3-phenylacrylaldehyde,2-methyl-3-phenyl-2-propenal,2-methyl-3-phenylacrolein,alpha-methyl-trans-cinnamaldehyde PubChem CID: 5372813 IUPAC Name: (2Z)-2-methyl-3-phenylprop-2-enal SMILES: C\C(C=O)=C\C1=CC=CC=C1

PubChem CID 5372813
CAS 101-39-3
Molecular Weight (g/mol) 146.19
MDL Number MFCD00006976
SMILES C\C(C=O)=C\C1=CC=CC=C1
Synonym alpha-methylcinnamaldehyde,a-methylcinnamaldehyde,2-propenal, 2-methyl-3-phenyl,2-methyl-3-phenylprop-2-enal,e-2-methyl-3-phenylpropenal,2-methyl-3-phenylacrylaldehyde,e-2-methyl-3-phenylacrylaldehyde,2-methyl-3-phenyl-2-propenal,2-methyl-3-phenylacrolein,alpha-methyl-trans-cinnamaldehyde
IUPAC Name (2Z)-2-methyl-3-phenylprop-2-enal
InChI Key VLUMOWNVWOXZAU-CLFYSBASSA-N
Molecular Formula C10H10O
681

alpha-Amylcinnamaldehyde 90.0+%, TCI America™

CAS: 122-40-7 Molecular Formula: C14H18O Molecular Weight (g/mol): 202.297 MDL Number: MFCD00006988 InChI Key: HMKKIXGYKWDQSV-KAMYIIQDSA-N Synonym: Jasminal, alpha-Pentylcinnamaldehyde, 2-Amyl-3-phenylacrylaldehyde, 2-Amyl-3-phenyl-2-propenal PubChem CID: 1712058 ChEBI: CHEBI:32318 IUPAC Name: (2Z)-2-benzylideneheptanal SMILES: CCCCCC(=CC1=CC=CC=C1)C=O

PubChem CID 1712058
CAS 122-40-7
Molecular Weight (g/mol) 202.297
ChEBI CHEBI:32318
MDL Number MFCD00006988
SMILES CCCCCC(=CC1=CC=CC=C1)C=O
Synonym Jasminal, alpha-Pentylcinnamaldehyde, 2-Amyl-3-phenylacrylaldehyde, 2-Amyl-3-phenyl-2-propenal
IUPAC Name (2Z)-2-benzylideneheptanal
InChI Key HMKKIXGYKWDQSV-KAMYIIQDSA-N
Molecular Formula C14H18O
682

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
683

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
685

Sophoricoside 98.0+%, TCI America™

CAS: 152-95-4 Molecular Formula: C21H20O10 Molecular Weight (g/mol): 432.381 MDL Number: MFCD01075138 InChI Key: ISQRJFLLIDGZEP-CMWLGVBASA-N Synonym: Genistein 4′C-Glucoside, 4′C-(beta-D-Glucopyranosyloxy)-5,7-dihydroxyisoflavone PubChem CID: 5321398 IUPAC Name: 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O

PubChem CID 5321398
CAS 152-95-4
Molecular Weight (g/mol) 432.381
MDL Number MFCD01075138
SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)OC4C(C(C(C(O4)CO)O)O)O
Synonym Genistein 4′C-Glucoside, 4′C-(beta-D-Glucopyranosyloxy)-5,7-dihydroxyisoflavone
IUPAC Name 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
InChI Key ISQRJFLLIDGZEP-CMWLGVBASA-N
Molecular Formula C21H20O10
686

Puerarin 98.0+%, TCI America™

CAS: 3681-99-0 Molecular Formula: C21H20O9 Molecular Weight (g/mol): 416.38 MDL Number: MFCD00063399 InChI Key: HKEAFJYKMMKDOR-VPRICQMDSA-N Synonym: 8-beta-d-glucopyranosyl-4',7-dihydroxyisoflavone PubChem CID: 53384442 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1

PubChem CID 53384442
CAS 3681-99-0
Molecular Weight (g/mol) 416.38
MDL Number MFCD00063399
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C2OC=C(C(=O)C2=CC=C1O)C1=CC=C(O)C=C1
Synonym 8-beta-d-glucopyranosyl-4',7-dihydroxyisoflavone
IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
InChI Key HKEAFJYKMMKDOR-VPRICQMDSA-N
Molecular Formula C21H20O9
687

2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate, TCI America™

CAS: 79404-93-6 Molecular Formula: C21H23Cl3O3 Molecular Weight (g/mol): 429.762 MDL Number: MFCD00191565 InChI Key: ILQVFGUXJOSAJH-UHFFFAOYSA-N Synonym: 4-n-Octyloxybenzoic Acid 2,4,5-Trichlorophenyl Ester PubChem CID: 616208 IUPAC Name: (2,4,5-trichlorophenyl) 4-octoxybenzoate SMILES: CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

PubChem CID 616208
CAS 79404-93-6
Molecular Weight (g/mol) 429.762
MDL Number MFCD00191565
SMILES CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl
Synonym 4-n-Octyloxybenzoic Acid 2,4,5-Trichlorophenyl Ester
IUPAC Name (2,4,5-trichlorophenyl) 4-octoxybenzoate
InChI Key ILQVFGUXJOSAJH-UHFFFAOYSA-N
Molecular Formula C21H23Cl3O3
688

4-(Hexyloxy)phenyl 4-Butylbenzoate 97.0+%, TCI America™

CAS: 38454-28-3 Molecular Formula: C23H30O3 Molecular Weight (g/mol): 354.49 MDL Number: MFCD00060083 InChI Key: QZYDWVAYBOXUCW-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-(Hexyloxy)phenyl Ester PubChem CID: 3084703 IUPAC Name: (4-hexoxyphenyl) 4-butylbenzoate SMILES: CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

PubChem CID 3084703
CAS 38454-28-3
Molecular Weight (g/mol) 354.49
MDL Number MFCD00060083
SMILES CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
Synonym 4-Butylbenzoic Acid 4-(Hexyloxy)phenyl Ester
IUPAC Name (4-hexoxyphenyl) 4-butylbenzoate
InChI Key QZYDWVAYBOXUCW-UHFFFAOYSA-N
Molecular Formula C23H30O3
689

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
690

Diphenyl Phthalate 98.0+%, TCI America™

CAS: 84-62-8 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00003038 InChI Key: DWNAQMUDCDVSLT-UHFFFAOYSA-N Synonym: diphenyl phthalate,phenyl phthalate,phthalic acid, diphenyl ester,diphenylphthalate,1,2-benzenedicarboxylic acid, diphenyl ester,phthalic acid diphenyl ester,caswell no. 399b,unii-bu20109xhv,1,2-benzenedicarboxylic acid, 1,2-diphenyl ester,epa pesticide chemical code 017001 PubChem CID: 6778 ChEBI: CHEBI:60819 IUPAC Name: 1,2-diphenyl benzene-1,2-dicarboxylate SMILES: O=C(OC1=CC=CC=C1)C1=CC=CC=C1C(=O)OC1=CC=CC=C1

PubChem CID 6778
CAS 84-62-8
Molecular Weight (g/mol) 318.33
ChEBI CHEBI:60819
MDL Number MFCD00003038
SMILES O=C(OC1=CC=CC=C1)C1=CC=CC=C1C(=O)OC1=CC=CC=C1
Synonym diphenyl phthalate,phenyl phthalate,phthalic acid, diphenyl ester,diphenylphthalate,1,2-benzenedicarboxylic acid, diphenyl ester,phthalic acid diphenyl ester,caswell no. 399b,unii-bu20109xhv,1,2-benzenedicarboxylic acid, 1,2-diphenyl ester,epa pesticide chemical code 017001
IUPAC Name 1,2-diphenyl benzene-1,2-dicarboxylate
InChI Key DWNAQMUDCDVSLT-UHFFFAOYSA-N
Molecular Formula C20H14O4