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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 (677)
Flavonoids (579)
Coumarins and derivatives (548)
Linear 1 3-diarylpropanoids (329)
Phenylpropanoic acids (325)
Depsides and depsidones (233)
Isoflavonoids (128)
Cinnamaldehydes (111)
Stilbenes (103)
Macrolide lactams (67)
Anthracyclines (58)
Macrolides and analogues (53)
Tetracyclines (47)
Cinnamyl alcohols (46)
Isocoumarins and derivatives (32)
Macrolactams (14)
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Ochratoxins and related substances (11)
Neoflavonoids (5)
Angucyclines (1)

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1 – 15 of 2,639 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

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
3

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
4

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
5

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
6

4-Methoxycinnamic acid, 99%

CAS: 830-09-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 699414
CAS 830-09-1
Molecular Weight (g/mol) 178.187
MDL Number MFCD00004398
SMILES COC1=CC=C(C=C1)C=CC(=O)O
Synonym 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid
IUPAC Name (E)-3-(4-methoxyphenyl)prop-2-enoic acid
InChI Key AFDXODALSZRGIH-QPJJXVBHSA-N
Molecular Formula C10H10O3
7

3-[3-(Benzyloxy)phenyl]propionic acid, 96%

CAS: 57668-34-5 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD09258905 InChI Key: HVXOYUOKPLHWNU-UHFFFAOYSA-N Synonym: 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid PubChem CID: 21938504 IUPAC Name: 3-(3-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O

PubChem CID 21938504
CAS 57668-34-5
Molecular Weight (g/mol) 256.301
MDL Number MFCD09258905
SMILES C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O
Synonym 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid
IUPAC Name 3-(3-phenylmethoxyphenyl)propanoic acid
InChI Key HVXOYUOKPLHWNU-UHFFFAOYSA-N
Molecular Formula C16H16O3
9

3-(4-Chloro-3-methylphenyl)propionic acid, 96%

CAS: 1086386-05-1 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.646 MDL Number: MFCD11655590 InChI Key: PCLIPGMIRVJYFB-UHFFFAOYSA-N Synonym: 3-4-chloro-3-methylphenyl propanoic acid,3-4-chloro-3-methyl-phenyl-propionic acid,3-4-chloro-3-methylphenyl propionic acid,benzenepropanoic acid, 4-chloro-3-methyl PubChem CID: 46741400 IUPAC Name: 3-(4-chloro-3-methylphenyl)propanoic acid SMILES: CC1=C(C=CC(=C1)CCC(=O)O)Cl

PubChem CID 46741400
CAS 1086386-05-1
Molecular Weight (g/mol) 198.646
MDL Number MFCD11655590
SMILES CC1=C(C=CC(=C1)CCC(=O)O)Cl
Synonym 3-4-chloro-3-methylphenyl propanoic acid,3-4-chloro-3-methyl-phenyl-propionic acid,3-4-chloro-3-methylphenyl propionic acid,benzenepropanoic acid, 4-chloro-3-methyl
IUPAC Name 3-(4-chloro-3-methylphenyl)propanoic acid
InChI Key PCLIPGMIRVJYFB-UHFFFAOYSA-N
Molecular Formula C10H11ClO2
10

3-(4-Chlorosulfonylphenyl)propionic acid, 99%

CAS: 63545-54-0 Molecular Formula: C9H9ClO4S Molecular Weight (g/mol): 248.68 MDL Number: MFCD02179510 InChI Key: INJMPXHPNFJMLG-UHFFFAOYSA-N Synonym: 3-4-chlorosulfonyl phenyl propanoic acid,benzenepropanoicacid, 4-chlorosulfonyl,3-4-chlorosulphonyl phenyl propanoic acid,3-4-chlorosulfonylphenyl propionic acid,3-4-chlorosulfonylphenyl propanoic acid,p-chlorosylphonyldihydrocinnamic acid,4-chlorosulfonyl benzenepropanoic acid,4-chlorosulphonyl dihydrocinnamic acid,p-chlorosulphonyldihydrocinnamic acid PubChem CID: 2757915 IUPAC Name: 3-[4-(chlorosulfonyl)phenyl]propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)S(Cl)(=O)=O

PubChem CID 2757915
CAS 63545-54-0
Molecular Weight (g/mol) 248.68
MDL Number MFCD02179510
SMILES OC(=O)CCC1=CC=C(C=C1)S(Cl)(=O)=O
Synonym 3-4-chlorosulfonyl phenyl propanoic acid,benzenepropanoicacid, 4-chlorosulfonyl,3-4-chlorosulphonyl phenyl propanoic acid,3-4-chlorosulfonylphenyl propionic acid,3-4-chlorosulfonylphenyl propanoic acid,p-chlorosylphonyldihydrocinnamic acid,4-chlorosulfonyl benzenepropanoic acid,4-chlorosulphonyl dihydrocinnamic acid,p-chlorosulphonyldihydrocinnamic acid
IUPAC Name 3-[4-(chlorosulfonyl)phenyl]propanoic acid
InChI Key INJMPXHPNFJMLG-UHFFFAOYSA-N
Molecular Formula C9H9ClO4S
11

(R)-3-(Boc-amino)-3-(4-bromophenyl)propionic acid, 95%

CAS: 261380-20-5 Molecular Formula: C14H18BrNO4 Molecular Weight (g/mol): 344.205 MDL Number: MFCD01320860 InChI Key: ZAMLGGRVTAXBHI-LLVKDONJSA-N Synonym: boc-r-3-amino-3-4-bromo-phenyl-propionic acid,r-3-4-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,r-boc-4-bromo-beta-phe-oh,boc-4-bromo-l-beta-phenylalanine,boc-beta-r-4-bromophenylalanine,r-n-boc-3-amino-3-4-bromophenyl propanoic acid,boc-r-4-beta-bromophenylalanine,r-3-boc-amino-3-4-bromophenyl propionic acid,boc-r-4-bromo-beta-phenylalanine,r-n-boc-beta-4-bromophenyl-beta-alanine PubChem CID: 7009110 IUPAC Name: (3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br

PubChem CID 7009110
CAS 261380-20-5
Molecular Weight (g/mol) 344.205
MDL Number MFCD01320860
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)Br
Synonym boc-r-3-amino-3-4-bromo-phenyl-propionic acid,r-3-4-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid,r-boc-4-bromo-beta-phe-oh,boc-4-bromo-l-beta-phenylalanine,boc-beta-r-4-bromophenylalanine,r-n-boc-3-amino-3-4-bromophenyl propanoic acid,boc-r-4-beta-bromophenylalanine,r-3-boc-amino-3-4-bromophenyl propionic acid,boc-r-4-bromo-beta-phenylalanine,r-n-boc-beta-4-bromophenyl-beta-alanine
IUPAC Name (3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key ZAMLGGRVTAXBHI-LLVKDONJSA-N
Molecular Formula C14H18BrNO4
12

DL-2-Phenylpropionic acid, 98%

CAS: 492-37-5 MDL Number: MFCD00002650 InChI Key: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonym: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid PubChem CID: 10296 ChEBI: CHEBI:48526 IUPAC Name: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 10296
CAS 492-37-5
ChEBI CHEBI:48526
MDL Number MFCD00002650
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid
IUPAC Name 2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-UHFFFAOYSA-N
13

3-(5-Bromo-2-methoxyphenyl)propionic acid, 96%, Thermo Scientific Chemicals

CAS: 82547-30-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.10 MDL Number: MFCD09258907 InChI Key: RCLIOLQUIYTUPY-UHFFFAOYSA-N Synonym: 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid PubChem CID: 22685184 IUPAC Name: 3-(5-bromo-2-methoxyphenyl)propanoic acid SMILES: COC1=C(CCC(O)=O)C=C(Br)C=C1

PubChem CID 22685184
CAS 82547-30-6
Molecular Weight (g/mol) 259.10
MDL Number MFCD09258907
SMILES COC1=C(CCC(O)=O)C=C(Br)C=C1
Synonym 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid
IUPAC Name 3-(5-bromo-2-methoxyphenyl)propanoic acid
InChI Key RCLIOLQUIYTUPY-UHFFFAOYSA-N
Molecular Formula C10H11BrO3
14

3,4-Dichlorocinnamic acid, 97%

CAS: 1202-39-7 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004385 InChI Key: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonym: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid PubChem CID: 688027 IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl

PubChem CID 688027
CAS 1202-39-7
Molecular Weight (g/mol) 217.045
MDL Number MFCD00004385
SMILES C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
Synonym 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid
IUPAC Name (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid
InChI Key RRLUFPHCTSFKNR-DUXPYHPUSA-N
Molecular Formula C9H6Cl2O2
15

5,6-Dihydroxyflavone, 97%

CAS: 6665-66-3 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00601534 InChI Key: AGZAGADSYIYYCT-UHFFFAOYSA-N Synonym: 5,6-dihydroxyflavone,5,6-dihydroxy-2-phenyl-4h-chromen-4-one,5,6-dihydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 5,6-dihydroxy-2-phenyl PubChem CID: 14349487 IUPAC Name: 5,6-dihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3O)O

PubChem CID 14349487
CAS 6665-66-3
Molecular Weight (g/mol) 254.241
MDL Number MFCD00601534
SMILES C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3O)O
Synonym 5,6-dihydroxyflavone,5,6-dihydroxy-2-phenyl-4h-chromen-4-one,5,6-dihydroxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 5,6-dihydroxy-2-phenyl
IUPAC Name 5,6-dihydroxy-2-phenylchromen-4-one
InChI Key AGZAGADSYIYYCT-UHFFFAOYSA-N
Molecular Formula C15H10O4