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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 (262)
Coumarins and derivatives (247)
Flavonoids (167)
Phenylpropanoic acids (162)
Linear 1 3-diarylpropanoids (135)
Depsides and depsidones (68)
Stilbenes (56)
Cinnamaldehydes (41)
Isoflavonoids (38)
Isocoumarins and derivatives (18)
Cinnamyl alcohols (11)
Anthracyclines (7)
Tetracyclines (7)
Dihydrocoumarins (6)
Macrolide lactams (4)
Macrolactams (3)
Macrolides and analogues (2)
Neoflavonoids (2)
Angucyclines (1)
Ochratoxins and related substances (1)

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1 – 15 of 664 results
1

Curcumin, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

2

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

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
3

Anisoin, 95%

CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1

PubChem CID 95415
CAS 119-52-8
Molecular Weight (g/mol) 272.30
MDL Number MFCD00008411
SMILES COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
Synonym anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one
IUPAC Name 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
InChI Key LRRQSCPPOIUNGX-UHFFFAOYNA-N
Molecular Formula C16H16O4
4

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

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
5

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
6

Dibenzoylmethane, 98%

CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

PubChem CID 8433
CAS 120-46-7
Molecular Weight (g/mol) 224.26
ChEBI CHEBI:75417
MDL Number MFCD00003085
SMILES C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Synonym dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc
IUPAC Name 1,3-diphenylpropane-1,3-dione
InChI Key NZZIMKJIVMHWJC-UHFFFAOYSA-N
Molecular Formula C15H12O2
7

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

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
8

3,4-Dimethoxycinnamic acid, 99%, predominantly trans isomer

CAS: 2316-26-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00004387 InChI Key: HJBWJAPEBGSQPR-GQCTYLIASA-N Synonym: 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid PubChem CID: 717531 ChEBI: CHEBI:86549 IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OC

PubChem CID 717531
CAS 2316-26-9
Molecular Weight (g/mol) 208.21
ChEBI CHEBI:86549
MDL Number MFCD00004387
SMILES COC1=C(C=C(C=C1)C=CC(=O)O)OC
Synonym 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid
IUPAC Name (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
InChI Key HJBWJAPEBGSQPR-GQCTYLIASA-N
Molecular Formula C11H12O4
9

3,5-Dimethoxy-4-hydroxycinnamic acid, 98%, predominantly trans isomer

CAS: 530-59-6 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.21 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec PubChem CID: 637775 ChEBI: CHEBI:15714 IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O

PubChem CID 637775
CAS 530-59-6
Molecular Weight (g/mol) 224.21
ChEBI CHEBI:15714
SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)O
Synonym sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec
IUPAC Name (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
InChI Key PCMORTLOPMLEFB-ONEGZZNKSA-N
Molecular Formula C11H12O5
10

Thermo Scientific Chemicals 4-Dimethylaminocinnamaldehyde, 98%

CAS: 6203-18-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

PubChem CID 5284506
CAS 6203-18-5
Molecular Weight (g/mol) 175.23
MDL Number MFCD00007002
SMILES CN(C)C1=CC=C(C=C1)C=CC=O
Synonym 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent
IUPAC Name (E)-3-[4-(dimethylamino)phenyl]prop-2-enal
InChI Key RUKJCCIJLIMGEP-ONEGZZNKSA-N
Molecular Formula C11H13NO
11

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
12

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
13

Thermo Scientific Chemicals Fisetin

CAS: 528-48-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one SMILES: OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

CAS 528-48-3
Molecular Weight (g/mol) 286.24
SMILES OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one
InChI Key XHEFDIBZLJXQHF-UHFFFAOYSA-N
Molecular Formula C15H10O6
14

Diphenyl phthalate, 98%

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: 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 diphenyl benzene-1,2-dicarboxylate
InChI Key DWNAQMUDCDVSLT-UHFFFAOYSA-N
Molecular Formula C20H14O4
15

5,7-Dihydroxy-4-methylcoumarin, 98%

CAS: 2107-76-8 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016966 InChI Key: QNVWGEJMXOQQPM-UHFFFAOYSA-N Synonym: 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m PubChem CID: 5354284 IUPAC Name: 5,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O

PubChem CID 5354284
CAS 2107-76-8
Molecular Weight (g/mol) 192.17
MDL Number MFCD00016966
SMILES CC1=CC(=O)OC2=CC(=CC(=C12)O)O
Synonym 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m
IUPAC Name 5,7-dihydroxy-4-methylchromen-2-one
InChI Key QNVWGEJMXOQQPM-UHFFFAOYSA-N
Molecular Formula C10H8O4