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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 (932)
Flavonoids (926)
Linear 1 3-diarylpropanoids (793)
Coumarins and derivatives (713)
Depsides and depsidones (520)
Phenylpropanoic acids (342)
Isoflavonoids (220)
Cinnamaldehydes (133)
Stilbenes (110)
Macrolide lactams (92)
Anthracyclines (89)
Macrolides and analogues (74)
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Cinnamyl alcohols (60)
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Dihydrocoumarins (17)
Neoflavonoids (14)
Ochratoxins and related substances (11)
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481 – 495 of 4,431 results
481

Biochanin A 98.0+%, TCI America™

CAS: 491-80-5 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD00006839 InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N Synonym: biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl PubChem CID: 5280373 ChEBI: CHEBI:17574 IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280373
CAS 491-80-5
Molecular Weight (g/mol) 284.27
ChEBI CHEBI:17574
MDL Number MFCD00006839
SMILES COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl
IUPAC Name 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
InChI Key WUADCCWRTIWANL-UHFFFAOYSA-N
Molecular Formula C16H12O5
482

Ononin 97.0+%, TCI America™

CAS: 486-62-4 Molecular Formula: C22H22O9 Molecular Weight (g/mol): 430.409 MDL Number: MFCD00017464 InChI Key: MGJLSBDCWOSMHL-MIUGBVLSSA-N Synonym: Formononetin 7-O-beta-D-glucopyranoside PubChem CID: 442813 ChEBI: CHEBI:7775 IUPAC Name: 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O

PubChem CID 442813
CAS 486-62-4
Molecular Weight (g/mol) 430.409
ChEBI CHEBI:7775
MDL Number MFCD00017464
SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O
Synonym Formononetin 7-O-beta-D-glucopyranoside
IUPAC Name 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI Key MGJLSBDCWOSMHL-MIUGBVLSSA-N
Molecular Formula C22H22O9
483

(+/-)-Equol 98.0+%, TCI America™

CAS: 94105-90-5 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00016662 InChI Key: ADFCQWZHKCXPAJ-UHFFFAOYNA-N Synonym: 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol PubChem CID: 382975 IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol SMILES: OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2

PubChem CID 382975
CAS 94105-90-5
Molecular Weight (g/mol) 242.27
MDL Number MFCD00016662
SMILES OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
Synonym 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol
IUPAC Name 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
InChI Key ADFCQWZHKCXPAJ-UHFFFAOYNA-N
Molecular Formula C15H14O3
484

Formononetin 98.0+%, TCI America™

CAS: 485-72-3 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.27 MDL Number: MFCD00016948 InChI Key: HKQYGTCOTHHOMP-UHFFFAOYSA-N Synonym: formononetin,biochanin b,formononetol,7-hydroxy-4'-methoxyisoflavone,7-hydroxy-3-4-methoxyphenyl-4h-chromen-4-one,4'-o-methyldaidzein,7-hydroxy-3-4-methoxyphenyl chromen-4-one,unii-295dqc67bj,7-hydroxy-3-4-methoxyphenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-3-4-methoxyphenyl PubChem CID: 5280378 ChEBI: CHEBI:18088 IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O

PubChem CID 5280378
CAS 485-72-3
Molecular Weight (g/mol) 268.27
ChEBI CHEBI:18088
MDL Number MFCD00016948
SMILES COC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O
Synonym formononetin,biochanin b,formononetol,7-hydroxy-4'-methoxyisoflavone,7-hydroxy-3-4-methoxyphenyl-4h-chromen-4-one,4'-o-methyldaidzein,7-hydroxy-3-4-methoxyphenyl chromen-4-one,unii-295dqc67bj,7-hydroxy-3-4-methoxyphenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-3-4-methoxyphenyl
IUPAC Name 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
InChI Key HKQYGTCOTHHOMP-UHFFFAOYSA-N
Molecular Formula C16H12O4
485

1,3-Bis(4-methoxyphenyl)-1,3-propanedione 98.0+%, TCI America™

CAS: 18362-51-1 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.31 MDL Number: MFCD00025817 InChI Key: GNMDORSUZRRMFS-UHFFFAOYSA-N PubChem CID: 87596 IUPAC Name: 1,3-bis(4-methoxyphenyl)propane-1,3-dione SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(OC)C=C1

PubChem CID 87596
CAS 18362-51-1
Molecular Weight (g/mol) 284.31
MDL Number MFCD00025817
SMILES COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(OC)C=C1
IUPAC Name 1,3-bis(4-methoxyphenyl)propane-1,3-dione
InChI Key GNMDORSUZRRMFS-UHFFFAOYSA-N
Molecular Formula C17H16O4
486

3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one 98.0+%, TCI America™

CAS: 644-34-8 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD00022990 InChI Key: ATKADZVINWFQOE-SOFGYWHQSA-N Synonym: 3,4-(Methylenedioxy)chalcone PubChem CID: 5354492 IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3

PubChem CID 5354492
CAS 644-34-8
Molecular Weight (g/mol) 252.269
MDL Number MFCD00022990
SMILES C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3
Synonym 3,4-(Methylenedioxy)chalcone
IUPAC Name (E)-3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one
InChI Key ATKADZVINWFQOE-SOFGYWHQSA-N
Molecular Formula C16H12O3
487

1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione 98.0+%, TCI America™

CAS: 70356-09-1 Molecular Formula: C20H22O3 Molecular Weight (g/mol): 310.39 MDL Number: MFCD00210252 InChI Key: XNEFYCZVKIDDMS-UHFFFAOYSA-N PubChem CID: 51040 IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C

PubChem CID 51040
CAS 70356-09-1
Molecular Weight (g/mol) 310.39
MDL Number MFCD00210252
SMILES COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C
IUPAC Name 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
InChI Key XNEFYCZVKIDDMS-UHFFFAOYSA-N
Molecular Formula C20H22O3
488

1,3-Bis(4-bromophenyl)-2-propanone 99.0+%, TCI America™

CAS: 54523-47-6 Molecular Formula: C15H12Br2O Molecular Weight (g/mol): 368.068 MDL Number: MFCD03843365 InChI Key: PQDQAUVBWSUMMB-UHFFFAOYSA-N Synonym: 4,4′C-Dibromodibenzyl Ketone, 1,3-Bis(4-bromophenyl)acetone PubChem CID: 603327 IUPAC Name: 1,3-bis(4-bromophenyl)propan-1-one SMILES: C1=CC(=CC=C1CCC(=O)C2=CC=C(C=C2)Br)Br

PubChem CID 603327
CAS 54523-47-6
Molecular Weight (g/mol) 368.068
MDL Number MFCD03843365
SMILES C1=CC(=CC=C1CCC(=O)C2=CC=C(C=C2)Br)Br
Synonym 4,4′C-Dibromodibenzyl Ketone, 1,3-Bis(4-bromophenyl)acetone
IUPAC Name 1,3-bis(4-bromophenyl)propan-1-one
InChI Key PQDQAUVBWSUMMB-UHFFFAOYSA-N
Molecular Formula C15H12Br2O
489

4-Fluorocinnamaldehyde 95.0+%, TCI America™

CAS: 24654-55-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.152 MDL Number: MFCD03425895 InChI Key: YSIYEWBILJZDQH-OWOJBTEDSA-N Synonym: 3-(4-Fluorophenyl)acrylaldehyde, 3-(4-Fluorophenyl)-2-propenal PubChem CID: 11217342 IUPAC Name: (E)-3-(4-fluorophenyl)prop-2-enal SMILES: C1=CC(=CC=C1C=CC=O)F

PubChem CID 11217342
CAS 24654-55-5
Molecular Weight (g/mol) 150.152
MDL Number MFCD03425895
SMILES C1=CC(=CC=C1C=CC=O)F
Synonym 3-(4-Fluorophenyl)acrylaldehyde, 3-(4-Fluorophenyl)-2-propenal
IUPAC Name (E)-3-(4-fluorophenyl)prop-2-enal
InChI Key YSIYEWBILJZDQH-OWOJBTEDSA-N
Molecular Formula C9H7FO
490

Minocycline Hydrochloride 98.0+%, TCI America™

CAS: 13614-98-7 Molecular Formula: C23H28ClN3O7 Molecular Weight (g/mol): 493.94 MDL Number: MFCD00083669 InChI Key: KDLQIOPKJDNQIM-WUURTAMISA-N Synonym: minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino PubChem CID: 54685925 IUPAC Name: hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride SMILES: [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C

PubChem CID 54685925
CAS 13614-98-7
Molecular Weight (g/mol) 493.94
MDL Number MFCD00083669
SMILES [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C
Synonym minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino
IUPAC Name hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride
InChI Key KDLQIOPKJDNQIM-WUURTAMISA-N
Molecular Formula C23H28ClN3O7
491

3,4'-Dihydroxyflavone 97.0+%, TCI America™

CAS: 14919-49-4 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00017690 InChI Key: GPGOCTLAUAHUQO-UHFFFAOYSA-N Synonym: 3,4'-dihydroxyflavone,3-hydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,3-hydroxy-2-4-hydroxyphenyl chromen-4-one,3-hydroxy-2-4-hydroxy-phenyl-chromen-4-one,4'-hydroxyflavonol,acmc-20anf1,3,4/'-dihydroxyflavone,spectrum1505138,3-hydroxy-2-4-hydroxyphenyl chromone,4h-1-benzopyran-4-one,3-hydroxy-2-4-hydroxyphenyl PubChem CID: 688715 IUPAC Name: 3-hydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O

PubChem CID 688715
CAS 14919-49-4
Molecular Weight (g/mol) 254.241
MDL Number MFCD00017690
SMILES C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O
Synonym 3,4'-dihydroxyflavone,3-hydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,3-hydroxy-2-4-hydroxyphenyl chromen-4-one,3-hydroxy-2-4-hydroxy-phenyl-chromen-4-one,4'-hydroxyflavonol,acmc-20anf1,3,4/'-dihydroxyflavone,spectrum1505138,3-hydroxy-2-4-hydroxyphenyl chromone,4h-1-benzopyran-4-one,3-hydroxy-2-4-hydroxyphenyl
IUPAC Name 3-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
InChI Key GPGOCTLAUAHUQO-UHFFFAOYSA-N
Molecular Formula C15H10O4
492

6-Hydroxyflavanone 98.0+%, TCI America™

CAS: 4250-77-5 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.258 MDL Number: MFCD00017485 InChI Key: XYHWPQUEOOBIOW-UHFFFAOYSA-N Synonym: 6-hydroxyflavanone,6-hydroxy-2-phenylchroman-4-one,6-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,6-hydroxy-flavanone,4h-1-benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl,6-hydroxy-2-phenyl-chroman-4-one,flavanone, 6-hydroxy,+/--6-hydroxyflavanone,acmc-209jpu PubChem CID: 2734580 ChEBI: CHEBI:34471 IUPAC Name: 6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3

PubChem CID 2734580
CAS 4250-77-5
Molecular Weight (g/mol) 240.258
ChEBI CHEBI:34471
MDL Number MFCD00017485
SMILES C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3
Synonym 6-hydroxyflavanone,6-hydroxy-2-phenylchroman-4-one,6-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,6-hydroxy-flavanone,4h-1-benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl,6-hydroxy-2-phenyl-chroman-4-one,flavanone, 6-hydroxy,+/--6-hydroxyflavanone,acmc-209jpu
IUPAC Name 6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
InChI Key XYHWPQUEOOBIOW-UHFFFAOYSA-N
Molecular Formula C15H12O3
493

Chrysin 98.0+%, TCI America™

CAS: 480-40-0 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00006834 InChI Key: RTIXKCRFFJGDFG-UHFFFAOYSA-N Synonym: chrysin,5,7-dihydroxyflavone,chrysine,5,7-dihydroxy-2-phenyl-4h-chromen-4-one,crysin,4h-1-benzopyran-4-one, 5,7-dihydroxy-2-phenyl,unii-3cn01f5zj5,flavone, 5,7-dihydroxy,5,7-dihydroxy-2-phenyl-4h-1-benzopyran-4-one,chembl117 PubChem CID: 5281607 ChEBI: CHEBI:75095 IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

PubChem CID 5281607
CAS 480-40-0
Molecular Weight (g/mol) 254.241
ChEBI CHEBI:75095
MDL Number MFCD00006834
SMILES C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Synonym chrysin,5,7-dihydroxyflavone,chrysine,5,7-dihydroxy-2-phenyl-4h-chromen-4-one,crysin,4h-1-benzopyran-4-one, 5,7-dihydroxy-2-phenyl,unii-3cn01f5zj5,flavone, 5,7-dihydroxy,5,7-dihydroxy-2-phenyl-4h-1-benzopyran-4-one,chembl117
IUPAC Name 5,7-dihydroxy-2-phenylchromen-4-one
InChI Key RTIXKCRFFJGDFG-UHFFFAOYSA-N
Molecular Formula C15H10O4
494

Sodium Flavonol-2'-sulfonate Hydrate 98.0+%, TCI America™

CAS: 77125-87-2 Molecular Formula: C15H9NaO6S Molecular Weight (g/mol): 340.281 MDL Number: MFCD00059757 InChI Key: BAUFCGCZFJQCFG-UHFFFAOYSA-M Synonym: 3-Hydroxyflavone-2′C-sulfonic Acid Sodium Salt, Flavonol-2′C-sulfonic Acid Sodium Salt PubChem CID: 44630295 IUPAC Name: sodium;2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+]

PubChem CID 44630295
CAS 77125-87-2
Molecular Weight (g/mol) 340.281
MDL Number MFCD00059757
SMILES C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+]
Synonym 3-Hydroxyflavone-2′C-sulfonic Acid Sodium Salt, Flavonol-2′C-sulfonic Acid Sodium Salt
IUPAC Name sodium;2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate
InChI Key BAUFCGCZFJQCFG-UHFFFAOYSA-M
Molecular Formula C15H9NaO6S
495

4-n-Octyloxyphenyl 4-Butylbenzoate 98.0+%, TCI America™

CAS: 42815-59-8 Molecular Formula: C25H34O3 Molecular Weight (g/mol): 382.544 MDL Number: MFCD00060084 InChI Key: DESAJRHSCPKXHK-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester PubChem CID: 19013731 IUPAC Name: (4-octoxyphenyl) 4-butylbenzoate SMILES: CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

PubChem CID 19013731
CAS 42815-59-8
Molecular Weight (g/mol) 382.544
MDL Number MFCD00060084
SMILES CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
Synonym 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester
IUPAC Name (4-octoxyphenyl) 4-butylbenzoate
InChI Key DESAJRHSCPKXHK-UHFFFAOYSA-N
Molecular Formula C25H34O3