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Phenylpropanoids and polyketides

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 (558)
Coumarins and derivatives (507)
Flavonoids (460)
Phenylpropanoic acids (322)
Linear 1 3-diarylpropanoids (280)
Depsides and depsidones (148)
Cinnamaldehydes (106)
Isoflavonoids (101)
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Macrolide lactams (32)
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Cinnamyl alcohols (30)
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Dihydrocoumarins (14)
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Ochratoxins and related substances (8)
Neoflavonoids (5)
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1 – 15 of 2,063 results
1

Thermo Scientific Chemicals 7-Hydroxy-4-methylcoumarin, 97%

CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12

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PubChem CID 5280567
CAS 90-33-5
Molecular Weight (g/mol) 176.17
ChEBI CHEBI:17224
MDL Number MFCD00006866
SMILES CC1=CC(=O)OC2=CC(O)=CC=C12
Synonym 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic
IUPAC Name 7-hydroxy-4-methylchromen-2-one
InChI Key HSHNITRMYYLLCV-UHFFFAOYSA-N
Molecular Formula C10H8O3
2

trans-Cinnamaldehyde, 99%

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1

PubChem CID 637511
CAS 14371-10-9
Molecular Weight (g/mol) 132.16
ChEBI CHEBI:16731
MDL Number MFCD00007000
SMILES O=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
InChI Key KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Molecular Formula C9H8O
3

Thermo Scientific Chemicals Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 96%

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

PubChem CID 969516
CAS 458-37-7
Molecular Weight (g/mol) 368.39
ChEBI CHEBI:3962
MDL Number MFCD00008365
SMILES COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
InChI Key ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula C21H20O6
4

Paraffin Oil Light, MilliporeSigma™
GSA_VA

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

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PubChem CID 68245
CAS 8012-95-1
Molecular Weight (g/mol) 0.00
ChEBI CHEBI:38701
MDL Number MFCD00131611
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
IUPAC Name 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula MFCD00131611
5

Thermo Scientific Chemicals Kaempferol, 97%

CAS: 520-18-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 MDL Number: MFCD00016938 InChI Key: IYRMWMYZSQPJKC-UHFFFAOYSA-N Synonym: kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol PubChem CID: 5280863 ChEBI: CHEBI:28499 IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

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PubChem CID 5280863
CAS 520-18-3
Molecular Weight (g/mol) 286.24
ChEBI CHEBI:28499
MDL Number MFCD00016938
SMILES OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Synonym kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol
IUPAC Name 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI Key IYRMWMYZSQPJKC-UHFFFAOYSA-N
Molecular Formula C15H10O6
6

Phenyl benzoate, 99%

CAS: 93-99-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 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

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PubChem CID 7169
CAS 93-99-2
Molecular Weight (g/mol) 198.22
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
7

Cinnamyl alcohol, 98% trans

CAS: 104-54-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO

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PubChem CID 5315892
CAS 104-54-1
Molecular Weight (g/mol) 134.18
ChEBI CHEBI:33227
MDL Number MFCD00002921
SMILES C1=CC=C(C=C1)C=CCO
Synonym cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol
IUPAC Name (E)-3-phenylprop-2-en-1-ol
InChI Key OOCCDEMITAIZTP-QPJJXVBHSA-N
Molecular Formula C9H10O
8

Phenyl salicylate, 99%

CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

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PubChem CID 8361
CAS 118-55-8
Molecular Weight (g/mol) 214.22
ChEBI CHEBI:34918
SMILES C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name phenyl 2-hydroxybenzoate
InChI Key ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula C13H10O3
9

o-Nitrocinnamaldehyde, 98%

CAS: 1466-88-2 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00007188 InChI Key: VMSMELHEXDVEDE-HWKANZROSA-N Synonym: 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775 PubChem CID: 5367122 IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-]

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PubChem CID 5367122
CAS 1466-88-2
Molecular Weight (g/mol) 177.16
MDL Number MFCD00007188
SMILES C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-]
Synonym 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775
IUPAC Name (E)-3-(2-nitrophenyl)prop-2-enal
InChI Key VMSMELHEXDVEDE-HWKANZROSA-N
Molecular Formula C9H7NO3
10

Benzoin, 98%

CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethanone SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 8400
CAS 119-53-9
Molecular Weight (g/mol) 212.25
ChEBI CHEBI:17682
MDL Number MFCD00004496
SMILES OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone
IUPAC Name 2-hydroxy-1,2-diphenylethanone
InChI Key ISAOCJYIOMOJEB-UHFFFAOYNA-N
Molecular Formula C14H12O2
11

Thermo Scientific Chemicals 7-Diethylamino-4-methylcoumarin, 99%

CAS: 91-44-1 Molecular Formula: C14H17NO2 Molecular Weight (g/mol): 231.29 MDL Number: MFCD00006864 InChI Key: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonym: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p PubChem CID: 7050 ChEBI: CHEBI:51938 IUPAC Name: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C

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PubChem CID 7050
CAS 91-44-1
Molecular Weight (g/mol) 231.29
ChEBI CHEBI:51938
MDL Number MFCD00006864
SMILES CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
Synonym 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p
IUPAC Name 7-(diethylamino)-4-methylchromen-2-one
InChI Key AFYCEAFSNDLKSX-UHFFFAOYSA-N
Molecular Formula C14H17NO2
12

7-Hydroxyflavanone, 98%, Thermo Scientific™

CAS: 6515-36-2 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00017487 InChI Key: SWAJPHCXKPCPQZ-UHFFFAOYSA-N Synonym: 7-hydroxyflavanone,7-hydroxy-2-phenylchroman-4-one,chembl97542,7-hydroxy-2-phenyl-4-chromanone,7-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl,7-hydroxy-flavanone,d05zpo PubChem CID: 1890 ChEBI: CHEBI:34483 IUPAC Name: 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3

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PubChem CID 1890
CAS 6515-36-2
Molecular Weight (g/mol) 240.26
ChEBI CHEBI:34483
MDL Number MFCD00017487
SMILES C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3
Synonym 7-hydroxyflavanone,7-hydroxy-2-phenylchroman-4-one,chembl97542,7-hydroxy-2-phenyl-4-chromanone,7-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl,7-hydroxy-flavanone,d05zpo
IUPAC Name 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
InChI Key SWAJPHCXKPCPQZ-UHFFFAOYSA-N
Molecular Formula C15H12O3
13

4-Hydroxy-7-methoxycoumarin, 95%

CAS: 17575-15-4 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00673700 InChI Key: HFGKBQZAHZKDLV-UHFFFAOYSA-N PubChem CID: 54691408 IUPAC Name: 4-hydroxy-7-methoxychromen-2-one SMILES: COC1=CC=C2C(=O)C=C(O)OC2=C1

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PubChem CID 54691408
CAS 17575-15-4
Molecular Weight (g/mol) 192.17
MDL Number MFCD00673700
SMILES COC1=CC=C2C(=O)C=C(O)OC2=C1
IUPAC Name 4-hydroxy-7-methoxychromen-2-one
InChI Key HFGKBQZAHZKDLV-UHFFFAOYSA-N
Molecular Formula C10H8O4
14

Phloretin, 98%

CAS: 60-82-2 Molecular Formula: C15H14O5 Molecular Weight (g/mol): 274.27 MDL Number: MFCD00002288 InChI Key: VGEREEWJJVICBM-UHFFFAOYSA-N Synonym: phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone PubChem CID: 4788 ChEBI: CHEBI:17276 IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O

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PubChem CID 4788
CAS 60-82-2
Molecular Weight (g/mol) 274.27
ChEBI CHEBI:17276
MDL Number MFCD00002288
SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
Synonym phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone
IUPAC Name 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
InChI Key VGEREEWJJVICBM-UHFFFAOYSA-N
Molecular Formula C15H14O5
15

4,4'-Diaminostilbene-2,2'-disulfonic acid, 95%

CAS: 81-11-8 Molecular Formula: C14H14N2O6S2 Molecular Weight (g/mol): 370.4 MDL Number: MFCD00024946 InChI Key: REJHVSOVQBJEBF-OWOJBTEDSA-N Synonym: amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid PubChem CID: 5284378 IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O

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PubChem CID 5284378
CAS 81-11-8
Molecular Weight (g/mol) 370.4
MDL Number MFCD00024946
SMILES C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
Synonym amsonic acid,flavonic acid,tinopal bhs,amsonsaeure,dasd,4,4'-diaminostilbene-2,2'-disulfonic acid,unii-h68088wvjl,2,2'-disulfo-4,4'-stilbenediamine,diaminostilbenedisulfonic acid,4,4'-diaminostilbene-2,2'-disulphonic acid
IUPAC Name 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI Key REJHVSOVQBJEBF-OWOJBTEDSA-N
Molecular Formula C14H14N2O6S2