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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 (701)
Flavonoids (631)
Coumarins and derivatives (576)
Phenylpropanoic acids (332)
Linear 1 3-diarylpropanoids (330)
Depsides and depsidones (234)
Isoflavonoids (146)
Cinnamaldehydes (114)
Stilbenes (100)
Macrolide lactams (75)
Anthracyclines (69)
Macrolides and analogues (63)
Cinnamyl alcohols (50)
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Isocoumarins and derivatives (27)
Macrolactams (14)
Dihydrocoumarins (11)
Ochratoxins and related substances (11)
Neoflavonoids (5)
Angucyclines (1)

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1 – 15 of 2,797 results
1

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

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
2

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: *

EDGE
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
3

4-Hydroxy-3-methoxycinnamic acid, 99%

CAS: 1135-24-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

EDGE
PubChem CID 445858
CAS 1135-24-6
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:17620
MDL Number MFCD00004400
SMILES COC1=C(C=CC(=C1)C=CC(=O)O)O
Synonym ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl
IUPAC Name (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
InChI Key KSEBMYQBYZTDHS-HWKANZROSA-N
Molecular Formula C10H10O4
4

L(-)-3-Phenyllactic acid, 98%

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

EDGE
PubChem CID 444718
CAS 20312-36-1
Molecular Weight (g/mol) 165.17
ChEBI CHEBI:43065
MDL Number MFCD00004244
SMILES O[C@@H](CC1=CC=CC=C1)C([O-])=O
Synonym l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid
IUPAC Name (2S)-2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-QMMMGPOBSA-M
Molecular Formula C9H9O3
5

4-Chlorocinnamic acid, 99%, predominantly trans

CAS: 1615-02-7 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.60 MDL Number: MFCD00004396 InChI Key: GXLIFJYFGMHYDY-ZZXKWVIFSA-N Synonym: 4-chlorocinnamic acid,p-chlorocinnamic acid,3-4-chlorophenyl acrylic acid,trans-4-chlorocinnamic acid,2e-3-4-chlorophenyl prop-2-enoic acid,e-p-chlorocinnamic acid,cinnamic acid, p-chloro,trans-p-chlorocinnamic acid,2-propenoic acid, 3-4-chlorophenyl,3-p-chlorophenyl acrylic acid PubChem CID: 637797 ChEBI: CHEBI:61116 IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Cl)C=C1

EDGE
PubChem CID 637797
CAS 1615-02-7
Molecular Weight (g/mol) 182.60
ChEBI CHEBI:61116
MDL Number MFCD00004396
SMILES OC(=O)\C=C\C1=CC=C(Cl)C=C1
Synonym 4-chlorocinnamic acid,p-chlorocinnamic acid,3-4-chlorophenyl acrylic acid,trans-4-chlorocinnamic acid,2e-3-4-chlorophenyl prop-2-enoic acid,e-p-chlorocinnamic acid,cinnamic acid, p-chloro,trans-p-chlorocinnamic acid,2-propenoic acid, 3-4-chlorophenyl,3-p-chlorophenyl acrylic acid
IUPAC Name (E)-3-(4-chlorophenyl)prop-2-enoic acid
InChI Key GXLIFJYFGMHYDY-ZZXKWVIFSA-N
Molecular Formula C9H7ClO2
6

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
7

Paraffin, liquid, pure

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: *

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
8

Benzoin, 99%

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

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
9

1,3-Diphenylacetone, 99%

CAS: 102-04-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00004795 InChI Key: YFKBXYGUSOXJGS-UHFFFAOYSA-N Synonym: 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397 PubChem CID: 7593 IUPAC Name: 1,3-diphenylpropan-2-one SMILES: O=C(CC1=CC=CC=C1)CC1=CC=CC=C1

PubChem CID 7593
CAS 102-04-5
Molecular Weight (g/mol) 210.28
MDL Number MFCD00004795
SMILES O=C(CC1=CC=CC=C1)CC1=CC=CC=C1
Synonym 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397
IUPAC Name 1,3-diphenylpropan-2-one
InChI Key YFKBXYGUSOXJGS-UHFFFAOYSA-N
Molecular Formula C15H14O
10

Esculin hydrate, 97%

CAS: 531-75-9 Molecular Formula: C15H16O9 Molecular Weight (g/mol): 340.28 MDL Number: MFCD00149492 InChI Key: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonym: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O

PubChem CID 5281417
CAS 531-75-9
Molecular Weight (g/mol) 340.28
ChEBI CHEBI:4853
MDL Number MFCD00149492
SMILES OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
Synonym esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside
IUPAC Name 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI Key XHCADAYNFIFUHF-TYKRLAFXNA-N
Molecular Formula C15H16O9
11

4-Isobutyl-alpha-methylphenylacetic acid, 99%

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
12

Doxorubicin hydrochloride

CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.98 MDL Number: MFCD00077757,MFCD00077757,MFCD00941448 InChI Key: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonym: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs PubChem CID: 129626538 IUPAC Name: hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride SMILES: [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O

PubChem CID 129626538
CAS 25316-40-9
Molecular Weight (g/mol) 579.98
MDL Number MFCD00077757,MFCD00077757,MFCD00941448
SMILES [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O
Synonym doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs
IUPAC Name hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride
InChI Key MWWSFMDVAYGXBV-FGBJBKNOSA-N
Molecular Formula C27H30ClNO11
13

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
14
Promotions Available

7-Diethylamino-4-methylcoumarin, 99%

CAS: 91-44-1 Molecular Formula: C14H17NO2 Molecular Weight (g/mol): 231.295 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

PubChem CID 7050
CAS 91-44-1
Molecular Weight (g/mol) 231.295
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
15

2,2-Dimethoxy-2-phenylacetophenone, 99%

CAS: 24650-42-8 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.30 MDL Number: MFCD00008475 InChI Key: KWVGIHKZDCUPEU-UHFFFAOYSA-N Synonym: 2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621 PubChem CID: 90571 IUPAC Name: 2,2-dimethoxy-1,2-diphenylethanone SMILES: COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 90571
CAS 24650-42-8
Molecular Weight (g/mol) 256.30
MDL Number MFCD00008475
SMILES COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621
IUPAC Name 2,2-dimethoxy-1,2-diphenylethanone
InChI Key KWVGIHKZDCUPEU-UHFFFAOYSA-N
Molecular Formula C16H16O3