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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 (941)
Flavonoids (930)
Linear 1 3-diarylpropanoids (797)
Coumarins and derivatives (716)
Depsides and depsidones (521)
Phenylpropanoic acids (342)
Isoflavonoids (222)
Cinnamaldehydes (133)
Stilbenes (111)
Macrolide lactams (92)
Anthracyclines (90)
Macrolides and analogues (74)
Tetracyclines (64)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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466 – 480 of 4,457 results
466

2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 108530-10-5 Molecular Formula: C10H5F3O5S Molecular Weight (g/mol): 294.2 MDL Number: MFCD18382236 InChI Key: RHZZAJVDTLUWRD-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid 2-Oxo-2H-chromen-7-yl Ester, 7-Coumaryl Trifluoromethanesulfonate, 7-Coumaryl Triflate PubChem CID: 13704479 IUPAC Name: (2-oxochromen-7-yl) trifluoromethanesulfonate SMILES: C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F

PubChem CID 13704479
CAS 108530-10-5
Molecular Weight (g/mol) 294.2
MDL Number MFCD18382236
SMILES C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F
Synonym Trifluoromethanesulfonic Acid 2-Oxo-2H-chromen-7-yl Ester, 7-Coumaryl Trifluoromethanesulfonate, 7-Coumaryl Triflate
IUPAC Name (2-oxochromen-7-yl) trifluoromethanesulfonate
InChI Key RHZZAJVDTLUWRD-UHFFFAOYSA-N
Molecular Formula C10H5F3O5S
467

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
468

4-Propoxycinnamic Acid 97.0+%, TCI America™

CAS: 69033-81-4 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 InChI Key: WTYNDSOJMSGRQV-YVMONPNESA-N Synonym: 3-(4-Propoxyphenyl)acrylic Acid PubChem CID: 7316300 IUPAC Name: (Z)-3-(4-propoxyphenyl)prop-2-enoic acid SMILES: CCCOC1=CC=C(C=C1)C=CC(=O)O

PubChem CID 7316300
CAS 69033-81-4
Molecular Weight (g/mol) 206.241
SMILES CCCOC1=CC=C(C=C1)C=CC(=O)O
Synonym 3-(4-Propoxyphenyl)acrylic Acid
IUPAC Name (Z)-3-(4-propoxyphenyl)prop-2-enoic acid
InChI Key WTYNDSOJMSGRQV-YVMONPNESA-N
Molecular Formula C12H14O3
469

Propafenone Hydrochloride 98.0+%, TCI America™

CAS: 34183-22-7 Molecular Formula: C21H28ClNO3 Molecular Weight (g/mol): 377.909 MDL Number: MFCD00079243 InChI Key: XWIHRGFIPXWGEF-UHFFFAOYSA-N Synonym: 1-[2-[2-Hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanone Hydrochloride PubChem CID: 36708 ChEBI: CHEBI:8466 IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.Cl

PubChem CID 36708
CAS 34183-22-7
Molecular Weight (g/mol) 377.909
ChEBI CHEBI:8466
MDL Number MFCD00079243
SMILES CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.Cl
Synonym 1-[2-[2-Hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanone Hydrochloride
IUPAC Name 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
InChI Key XWIHRGFIPXWGEF-UHFFFAOYSA-N
Molecular Formula C21H28ClNO3
470

4-(4-Hydroxyphenyl)-3-buten-2-one 98.0+%, TCI America™

CAS: 3160-35-8 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016490 InChI Key: OCNIKEFATSKIBE-NSCUHMNNSA-N Synonym: p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl PubChem CID: 796857 IUPAC Name: (3E)-4-(4-hydroxyphenyl)but-3-en-2-one SMILES: CC(=O)\C=C\C1=CC=C(O)C=C1

PubChem CID 796857
CAS 3160-35-8
Molecular Weight (g/mol) 162.19
MDL Number MFCD00016490
SMILES CC(=O)\C=C\C1=CC=C(O)C=C1
Synonym p-hydroxybenzalacetone,4-hydroxybenzylideneacetone,4-hydroxybenzal acetone,4-hydroxycinnamoylmethane,4-hydroxybenzalacetone,p-hydroxybenzylidene acetone,4-p-hydroxyphenyl-3-buten-2-one,4-4-hydroxyphenyl but-3-en-2-one,3-buten-2-one, 4-4-hydroxyphenyl,3-buten-2-one, 4-p-hydroxyphenyl
IUPAC Name (3E)-4-(4-hydroxyphenyl)but-3-en-2-one
InChI Key OCNIKEFATSKIBE-NSCUHMNNSA-N
Molecular Formula C10H10O2
471

2,3-Diphenylpropionic Acid 98.0+%, TCI America™

CAS: 3333-15-1 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.28 MDL Number: MFCD00044405 InChI Key: PCRICPYPVZKEBZ-UHFFFAOYNA-N PubChem CID: 18744 IUPAC Name: 2,3-diphenylpropanoic acid SMILES: OC(=O)C(CC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 18744
CAS 3333-15-1
Molecular Weight (g/mol) 226.28
MDL Number MFCD00044405
SMILES OC(=O)C(CC1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2,3-diphenylpropanoic acid
InChI Key PCRICPYPVZKEBZ-UHFFFAOYNA-N
Molecular Formula C15H14O2
472

3-Hydroxyphenyl Benzoate 95.0+%, TCI America™

CAS: 136-36-7 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00020118 InChI Key: GDESWOTWNNGOMW-UHFFFAOYSA-N Synonym: resorcinol monobenzoate,1,3-benzenediol, monobenzoate,eastman inhibitor rmb,resorcinol, monobenzoate,benzoic acid, m-hydroxyphenyl ester,3-benzoyloxyphenol,benzoic acid 3-hydroxyphenyl ester,unii-942e82kuwd,3-hydroxyphenyl benzoate,1,3-benzenediol, 1-benzoate PubChem CID: 8690 IUPAC Name: 3-hydroxyphenyl benzoate SMILES: OC1=CC=CC(OC(=O)C2=CC=CC=C2)=C1

PubChem CID 8690
CAS 136-36-7
Molecular Weight (g/mol) 214.22
MDL Number MFCD00020118
SMILES OC1=CC=CC(OC(=O)C2=CC=CC=C2)=C1
Synonym resorcinol monobenzoate,1,3-benzenediol, monobenzoate,eastman inhibitor rmb,resorcinol, monobenzoate,benzoic acid, m-hydroxyphenyl ester,3-benzoyloxyphenol,benzoic acid 3-hydroxyphenyl ester,unii-942e82kuwd,3-hydroxyphenyl benzoate,1,3-benzenediol, 1-benzoate
IUPAC Name 3-hydroxyphenyl benzoate
InChI Key GDESWOTWNNGOMW-UHFFFAOYSA-N
Molecular Formula C13H10O3
473

4-Mercaptohydrocinnamic Acid 95.0+%, TCI America™

CAS: 63545-55-1 Molecular Formula: C9H10O2S Molecular Weight (g/mol): 182.24 MDL Number: MFCD00060121 InChI Key: YQWPHBFLHAJVCG-UHFFFAOYSA-N Synonym: 3-(4-Mercaptophenyl)propionic Acid PubChem CID: 579784 IUPAC Name: 3-(4-sulfanylphenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(S)C=C1

PubChem CID 579784
CAS 63545-55-1
Molecular Weight (g/mol) 182.24
MDL Number MFCD00060121
SMILES OC(=O)CCC1=CC=C(S)C=C1
Synonym 3-(4-Mercaptophenyl)propionic Acid
IUPAC Name 3-(4-sulfanylphenyl)propanoic acid
InChI Key YQWPHBFLHAJVCG-UHFFFAOYSA-N
Molecular Formula C9H10O2S
474

(S)-2-Octyl 4-[4-(Hexyloxy)benzoyloxy]benzoate 98.0+%, TCI America™

CAS: 87321-20-8 Molecular Formula: C28H38O5 Molecular Weight (g/mol): 454.607 MDL Number: MFCD01941070 InChI Key: PLGPDUBTEHIWRH-QFIPXVFZSA-N Synonym: 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester PubChem CID: 22845344 IUPAC Name: [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate SMILES: CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC

PubChem CID 22845344
CAS 87321-20-8
Molecular Weight (g/mol) 454.607
MDL Number MFCD01941070
SMILES CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC
Synonym 4-[4-(Hexyloxy)benzoyloxy]benzoic Acid (S)-2-Octyl Ester
IUPAC Name [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-hexoxybenzoate
InChI Key PLGPDUBTEHIWRH-QFIPXVFZSA-N
Molecular Formula C28H38O5
475

3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine Sesquihydrate 98.0+%, TCI America™

CAS: 555-30-6 Molecular Formula: C10H13NO4 Molecular Weight (g/mol): 211.217 MDL Number: MFCD00004186 InChI Key: CJCSPKMFHVPWAR-JTQLQIEISA-N Synonym: methyldopa,alphamethyldopa,aldomet,alpha medopa,dopamet,l-alpha-methyldopa,alpha-methyl dopa,baypresol,hyperpax,presolisin PubChem CID: 38853 ChEBI: CHEBI:61058 IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N

PubChem CID 38853
CAS 555-30-6
Molecular Weight (g/mol) 211.217
ChEBI CHEBI:61058
MDL Number MFCD00004186
SMILES CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N
Synonym methyldopa,alphamethyldopa,aldomet,alpha medopa,dopamet,l-alpha-methyldopa,alpha-methyl dopa,baypresol,hyperpax,presolisin
IUPAC Name (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
InChI Key CJCSPKMFHVPWAR-JTQLQIEISA-N
Molecular Formula C10H13NO4
476

3-Acetyl-6-bromocoumarin 96.0+%, TCI America™

CAS: 2199-93-1 Molecular Formula: C11H7BrO3 Molecular Weight (g/mol): 267.08 MDL Number: MFCD00024075 InChI Key: XFQYOFLFNKCHLG-UHFFFAOYSA-N Synonym: 3-acetyl-6-bromocoumarin,3-acetyl-6-bromo-2h-chromen-2-one,3-acetyl-6-bromo-chromen-2-one,2h-1-benzopyran-2-one,3-acetyl-6-bromo,3-acetyl-6-bromo-2-oxochromene,pubchem13336,maybridge1_000212,zerenex e/1034014,6-bromanyl-3-ethanoyl-chromen-2-one PubChem CID: 304813 IUPAC Name: 3-acetyl-6-bromo-2H-chromen-2-one SMILES: CC(=O)C1=CC2=CC(Br)=CC=C2OC1=O

PubChem CID 304813
CAS 2199-93-1
Molecular Weight (g/mol) 267.08
MDL Number MFCD00024075
SMILES CC(=O)C1=CC2=CC(Br)=CC=C2OC1=O
Synonym 3-acetyl-6-bromocoumarin,3-acetyl-6-bromo-2h-chromen-2-one,3-acetyl-6-bromo-chromen-2-one,2h-1-benzopyran-2-one,3-acetyl-6-bromo,3-acetyl-6-bromo-2-oxochromene,pubchem13336,maybridge1_000212,zerenex e/1034014,6-bromanyl-3-ethanoyl-chromen-2-one
IUPAC Name 3-acetyl-6-bromo-2H-chromen-2-one
InChI Key XFQYOFLFNKCHLG-UHFFFAOYSA-N
Molecular Formula C11H7BrO3
477

4-Hydroxychalcone 97.0+%, TCI America™

CAS: 20426-12-4 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00016488 InChI Key: PWWCDTYUYPOAIU-DHZHZOJOSA-N Synonym: 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 PubChem CID: 5282361 ChEBI: CHEBI:34423 IUPAC Name: (2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one SMILES: OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1

PubChem CID 5282361
CAS 20426-12-4
Molecular Weight (g/mol) 224.26
ChEBI CHEBI:34423
MDL Number MFCD00016488
SMILES OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1
Synonym 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228
IUPAC Name (2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
InChI Key PWWCDTYUYPOAIU-DHZHZOJOSA-N
Molecular Formula C15H12O2
478

2,3,4-Trimethoxycinnamic Acid 98.0+%, TCI America™

CAS: 33130-03-9 Molecular Formula: C12H14O5 Molecular Weight (g/mol): 238.239 MDL Number: MFCD00014376 InChI Key: ZYOPDNLIHHFGEC-FNORWQNLSA-N Synonym: 2,3,4-trimethoxycinnamic acid,trans-2,3,4-trimethoxycinnamic acid,3-2,3,4-trimethoxyphenyl acrylic acid,2e-3-2,3,4-trimethoxyphenyl prop-2-enoic acid,2-propenoic acid, 3-2,3,4-trimethoxyphenyl,3-2,3,4-trimethoxyphenyl propenoic acid,trans-2, 3, 4-trimethoxycinnamate,2e-3-2,3,4-trimethoxyphenyl-2-propenoic acid,e-3-2,3,4-trimethoxyphenyl acrylic acid,2e-3-2,3,4-trimethoxyphenyl acrylic acid PubChem CID: 735841 IUPAC Name: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C(=C(C=C1)C=CC(=O)O)OC)OC

PubChem CID 735841
CAS 33130-03-9
Molecular Weight (g/mol) 238.239
MDL Number MFCD00014376
SMILES COC1=C(C(=C(C=C1)C=CC(=O)O)OC)OC
Synonym 2,3,4-trimethoxycinnamic acid,trans-2,3,4-trimethoxycinnamic acid,3-2,3,4-trimethoxyphenyl acrylic acid,2e-3-2,3,4-trimethoxyphenyl prop-2-enoic acid,2-propenoic acid, 3-2,3,4-trimethoxyphenyl,3-2,3,4-trimethoxyphenyl propenoic acid,trans-2, 3, 4-trimethoxycinnamate,2e-3-2,3,4-trimethoxyphenyl-2-propenoic acid,e-3-2,3,4-trimethoxyphenyl acrylic acid,2e-3-2,3,4-trimethoxyphenyl acrylic acid
IUPAC Name (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
InChI Key ZYOPDNLIHHFGEC-FNORWQNLSA-N
Molecular Formula C12H14O5
479

trans-2,5-Dichlorocinnamic Acid 96.0+%, TCI America™

CAS: 20595-47-5 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD03002786 InChI Key: LYYBVUOVYNSRSE-DAFODLJHSA-N Synonym: trans-3-(2,5-Dichlorophenyl)-2-propenoic Acid PubChem CID: 7014934 IUPAC Name: (E)-3-(2,5-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1Cl)C=CC(=O)O)Cl

PubChem CID 7014934
CAS 20595-47-5
Molecular Weight (g/mol) 217.045
MDL Number MFCD03002786
SMILES C1=CC(=C(C=C1Cl)C=CC(=O)O)Cl
Synonym trans-3-(2,5-Dichlorophenyl)-2-propenoic Acid
IUPAC Name (E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
InChI Key LYYBVUOVYNSRSE-DAFODLJHSA-N
Molecular Formula C9H6Cl2O2
480

Ethyl 7-Hydroxycoumarin-3-carboxylate 98.0+%, TCI America™

CAS: 6093-71-6 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.207 MDL Number: MFCD00017641 InChI Key: IETDBZQIWIJQJG-UHFFFAOYSA-N Synonym: 7-Hydroxycoumarin-3-carboxylic Acid Ethyl Ester, Ethyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid Ethyl Ester PubChem CID: 5289613 IUPAC Name: ethyl 7-hydroxy-2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O

PubChem CID 5289613
CAS 6093-71-6
Molecular Weight (g/mol) 234.207
MDL Number MFCD00017641
SMILES CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
Synonym 7-Hydroxycoumarin-3-carboxylic Acid Ethyl Ester, Ethyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid Ethyl Ester
IUPAC Name ethyl 7-hydroxy-2-oxochromene-3-carboxylate
InChI Key IETDBZQIWIJQJG-UHFFFAOYSA-N
Molecular Formula C12H10O5