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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.
Flavonoids (890)
Cinnamic acids and derivatives (865)
Coumarins and derivatives (685)
Linear 1 3-diarylpropanoids (472)
Phenylpropanoic acids (332)
Depsides and depsidones (304)
Isoflavonoids (206)
Cinnamaldehydes (119)
Stilbenes (105)
Macrolide lactams (84)
Anthracyclines (73)
Macrolides and analogues (73)
Tetracyclines (63)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (27)
Macrolactams (22)
Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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436 – 450 of 3,687 results
436

Aegeline 98.0+%, TCI America™

CAS: 456-12-2 Molecular Formula: C18H19NO3 Molecular Weight (g/mol): 297.35 MDL Number: MFCD00048045 InChI Key: QRFDENJATPJOKG-UHFFFAOYNA-N Synonym: Aegelin, (E)-N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]cinnamamide PubChem CID: 15558419 IUPAC Name: N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide SMILES: COC1=CC=C(C=C1)C(O)CNC(=O)C=CC1=CC=CC=C1

PubChem CID 15558419
CAS 456-12-2
Molecular Weight (g/mol) 297.35
MDL Number MFCD00048045
SMILES COC1=CC=C(C=C1)C(O)CNC(=O)C=CC1=CC=CC=C1
Synonym Aegelin, (E)-N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]cinnamamide
IUPAC Name N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
InChI Key QRFDENJATPJOKG-UHFFFAOYNA-N
Molecular Formula C18H19NO3
437

3-(3-Trifluoromethylphenyl)propionic Acid 98.0+%, TCI America™

CAS: 585-50-2 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.18 MDL Number: MFCD00090487 InChI Key: YLTJJMIWCCJIHI-UHFFFAOYSA-N Synonym: 3-3-trifluoromethyl phenyl propanoic acid,3-3-trifluoromethylphenyl propionic acid,benzenepropanoic acid, 3-trifluoromethyl,3-trifluoromethyl hydrocinnamic acid,unii-4u44xhh79h,3-3'-trifluoromethylphenyl-propionic acid,3-3-trifluoromethyl phenyl propionic acid,cinacalcet m5,m-trifluoromethyl hydrocinnamic acid PubChem CID: 2777683 IUPAC Name: 3-[3-(trifluoromethyl)phenyl]propanoic acid SMILES: OC(=O)CCC1=CC(=CC=C1)C(F)(F)F

PubChem CID 2777683
CAS 585-50-2
Molecular Weight (g/mol) 218.18
MDL Number MFCD00090487
SMILES OC(=O)CCC1=CC(=CC=C1)C(F)(F)F
Synonym 3-3-trifluoromethyl phenyl propanoic acid,3-3-trifluoromethylphenyl propionic acid,benzenepropanoic acid, 3-trifluoromethyl,3-trifluoromethyl hydrocinnamic acid,unii-4u44xhh79h,3-3'-trifluoromethylphenyl-propionic acid,3-3-trifluoromethyl phenyl propionic acid,cinacalcet m5,m-trifluoromethyl hydrocinnamic acid
IUPAC Name 3-[3-(trifluoromethyl)phenyl]propanoic acid
InChI Key YLTJJMIWCCJIHI-UHFFFAOYSA-N
Molecular Formula C10H9F3O2
438

(1E,4E)-1-(4-Hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,4-pentadiene-3-one 95.0+%, TCI America™

CAS: 1217503-60-0 Molecular Formula: C22H24O7 Molecular Weight (g/mol): 400.427 InChI Key: SKZNJIJSGSQNJQ-CDJQDVQCSA-N Synonym: GO-Y078 PubChem CID: 46231908 IUPAC Name: (1E,4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC

PubChem CID 46231908
CAS 1217503-60-0
Molecular Weight (g/mol) 400.427
SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC
Synonym GO-Y078
IUPAC Name (1E,4E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
InChI Key SKZNJIJSGSQNJQ-CDJQDVQCSA-N
Molecular Formula C22H24O7
439

Bisdemethoxycurcumin 98.0+%, TCI America™

CAS: 24939-16-0 Molecular Formula: C19H16O4 Molecular Weight (g/mol): 308.333 MDL Number: MFCD03419284 InChI Key: PREBVFJICNPEKM-YDWXAUTNSA-N Synonym: 1,7-Bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, Didemethoxycurcumin PubChem CID: 5315472 ChEBI: CHEBI:71045 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione SMILES: C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O

PubChem CID 5315472
CAS 24939-16-0
Molecular Weight (g/mol) 308.333
ChEBI CHEBI:71045
MDL Number MFCD03419284
SMILES C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
Synonym 1,7-Bis(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, Didemethoxycurcumin
IUPAC Name (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
InChI Key PREBVFJICNPEKM-YDWXAUTNSA-N
Molecular Formula C19H16O4
440

4-Methyl-6,7-methylenedioxycoumarin, TCI America™

CAS: 15071-04-2 Molecular Formula: C11H8O4 Molecular Weight (g/mol): 204.181 MDL Number: MFCD00143343 InChI Key: XAOGHIKJQRXPHX-UHFFFAOYSA-N Synonym: 4-Methylayapin PubChem CID: 609315 IUPAC Name: 8-methyl-[1,3]dioxolo[4,5-g]chromen-6-one SMILES: CC1=CC(=O)OC2=CC3=C(C=C12)OCO3

PubChem CID 609315
CAS 15071-04-2
Molecular Weight (g/mol) 204.181
MDL Number MFCD00143343
SMILES CC1=CC(=O)OC2=CC3=C(C=C12)OCO3
Synonym 4-Methylayapin
IUPAC Name 8-methyl-[1,3]dioxolo[4,5-g]chromen-6-one
InChI Key XAOGHIKJQRXPHX-UHFFFAOYSA-N
Molecular Formula C11H8O4
441

Acacetin 98.0+%, TCI America™

CAS: 480-44-4 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.267 MDL Number: MFCD00016936 InChI Key: DANYIYRPLHHOCZ-UHFFFAOYSA-N Synonym: acacetin,linarigenin,5,7-dihydroxy-4'-methoxyflavone,acacetine,4'-methoxyapigenin,buddleoflavonol,linarisenin,akatsetin,apigenin 4'-methyl ether,5,7-dihydroxy-2-4-methoxyphenyl-4h-chromen-4-one PubChem CID: 5280442 ChEBI: CHEBI:15335 IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

PubChem CID 5280442
CAS 480-44-4
Molecular Weight (g/mol) 284.267
ChEBI CHEBI:15335
MDL Number MFCD00016936
SMILES COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Synonym acacetin,linarigenin,5,7-dihydroxy-4'-methoxyflavone,acacetine,4'-methoxyapigenin,buddleoflavonol,linarisenin,akatsetin,apigenin 4'-methyl ether,5,7-dihydroxy-2-4-methoxyphenyl-4h-chromen-4-one
IUPAC Name 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
InChI Key DANYIYRPLHHOCZ-UHFFFAOYSA-N
Molecular Formula C16H12O5
442

7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin 98.0+%, TCI America™

CAS: 41044-12-6 Molecular Formula: C21H21N3O2 Molecular Weight (g/mol): 347.418 MDL Number: MFCD00051349 InChI Key: KZFUMWVJJNDGAU-UHFFFAOYSA-N Synonym: coumarin 30,7-diethylamino-3-1-methyl-1h-benzo d imidazol-2-yl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl,ccris 4959,7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl-2h-chromen-2-one,3-2-n-methylbenzimidazolyl-7-n,n-diethylaminocoumarin,7-diethylamino-3-1-methylbenzimidazol-2-yl chromen-2-one,7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl-2-benzopyrone,7-diethylamino-3-1-methyl-1,3-benzodiazol-2-yl chromen-2-one,coumarin 515 PubChem CID: 100335 IUPAC Name: 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C

PubChem CID 100335
CAS 41044-12-6
Molecular Weight (g/mol) 347.418
MDL Number MFCD00051349
SMILES CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C
Synonym coumarin 30,7-diethylamino-3-1-methyl-1h-benzo d imidazol-2-yl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl,ccris 4959,7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl-2h-chromen-2-one,3-2-n-methylbenzimidazolyl-7-n,n-diethylaminocoumarin,7-diethylamino-3-1-methylbenzimidazol-2-yl chromen-2-one,7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl-2-benzopyrone,7-diethylamino-3-1-methyl-1,3-benzodiazol-2-yl chromen-2-one,coumarin 515
IUPAC Name 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
InChI Key KZFUMWVJJNDGAU-UHFFFAOYSA-N
Molecular Formula C21H21N3O2
443

7-Methoxycoumarin-3-carboxylic Acid 98.0+%, TCI America™

CAS: 20300-59-8 Molecular Formula: C11H8O5 Molecular Weight (g/mol): 220.18 MDL Number: MFCD00452770 InChI Key: VEEGNDSSWAOLFN-UHFFFAOYSA-N PubChem CID: 583941 IUPAC Name: 7-methoxy-2-oxo-2H-chromene-3-carboxylic acid SMILES: COC1=CC=C2C=C(C(O)=O)C(=O)OC2=C1

PubChem CID 583941
CAS 20300-59-8
Molecular Weight (g/mol) 220.18
MDL Number MFCD00452770
SMILES COC1=CC=C2C=C(C(O)=O)C(=O)OC2=C1
IUPAC Name 7-methoxy-2-oxo-2H-chromene-3-carboxylic acid
InChI Key VEEGNDSSWAOLFN-UHFFFAOYSA-N
Molecular Formula C11H8O5
444

Disodium 4,4'-Diisothiocyanato-2,2'-stilbenedisulfonate Hydrate 90.0+%, TCI America™

CAS: 67483-13-0 Molecular Formula: C16H8N2Na2O6S4 Molecular Weight (g/mol): 498.468 MDL Number: MFCD00009638 InChI Key: GEPAYBXVXXBSKP-SEPHDYHBSA-L Synonym: dids,unii-1vfrq7416a,disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate,4,4'-diisothiocyanato-2,2'-stilbenedisulfonic acid disodium salt,4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid, disodium salt,disodium 5-isothiocyanato-2-e-2-4-isothiocyanato-2-sulfonatophenyl ethenyl benzenesulfonate,spectrum1505164,4 4'-diisothiocyanato-2 2'-stilbenedisu,disodium 4,4'-diisothiocyanatostilbene-2,2'-disulfonate,disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, e PubChem CID: 5702690 IUPAC Name: disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+]

PubChem CID 5702690
CAS 67483-13-0
Molecular Weight (g/mol) 498.468
MDL Number MFCD00009638
SMILES C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+]
Synonym dids,unii-1vfrq7416a,disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate,4,4'-diisothiocyanato-2,2'-stilbenedisulfonic acid disodium salt,4,4'-diisothiocyano-2,2'-stilbenedisulfonic acid, disodium salt,disodium 5-isothiocyanato-2-e-2-4-isothiocyanato-2-sulfonatophenyl ethenyl benzenesulfonate,spectrum1505164,4 4'-diisothiocyanato-2 2'-stilbenedisu,disodium 4,4'-diisothiocyanatostilbene-2,2'-disulfonate,disodium 4,4'-diisothiocyanato-2,2'-stilbenedisulfonate, e
IUPAC Name disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate
InChI Key GEPAYBXVXXBSKP-SEPHDYHBSA-L
Molecular Formula C16H8N2Na2O6S4
445

1,7-Dibromo-3,4,9,10-perylenetetracarboxylic Dianhydride 98.0+%, TCI America™

CAS: 118129-60-5 Molecular Formula: C24H6Br2O6 Molecular Weight (g/mol): 550.114 MDL Number: MFCD11870875 InChI Key: WPBVUAVIGWNDGT-UHFFFAOYSA-N PubChem CID: 11103604 SMILES: C1=CC2=C3C(=CC(=C4C3=C1C5=C(C=C6C7=C(C=CC4=C57)C(=O)OC6=O)Br)Br)C(=O)OC2=O

PubChem CID 11103604
CAS 118129-60-5
Molecular Weight (g/mol) 550.114
MDL Number MFCD11870875
SMILES C1=CC2=C3C(=CC(=C4C3=C1C5=C(C=C6C7=C(C=CC4=C57)C(=O)OC6=O)Br)Br)C(=O)OC2=O
InChI Key WPBVUAVIGWNDGT-UHFFFAOYSA-N
Molecular Formula C24H6Br2O6
446

7-Methylcoumarin 98.0+%, TCI America™

CAS: 2445-83-2 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00006880 InChI Key: DLHXRDUXNVEIEY-UHFFFAOYSA-N Synonym: 7-methylcoumarin,2h-1-benzopyran-2-one, 7-methyl,7-methyl-2h-chromen-2-one,coumarin, 7-methyl,7-methyl coumarin,7-methylcumarin,7-methyl-2h-1-benzopyran-2-one,unii-ycn83t03qu,7-methyl-coumarin,7-methyl-chromen-2-one PubChem CID: 17131 IUPAC Name: 7-methyl-2H-chromen-2-one SMILES: CC1=CC=C2C=CC(=O)OC2=C1

PubChem CID 17131
CAS 2445-83-2
Molecular Weight (g/mol) 160.17
MDL Number MFCD00006880
SMILES CC1=CC=C2C=CC(=O)OC2=C1
Synonym 7-methylcoumarin,2h-1-benzopyran-2-one, 7-methyl,7-methyl-2h-chromen-2-one,coumarin, 7-methyl,7-methyl coumarin,7-methylcumarin,7-methyl-2h-1-benzopyran-2-one,unii-ycn83t03qu,7-methyl-coumarin,7-methyl-chromen-2-one
IUPAC Name 7-methyl-2H-chromen-2-one
InChI Key DLHXRDUXNVEIEY-UHFFFAOYSA-N
Molecular Formula C10H8O2
447

2'-Hydroxy-4,4',6'-trimethoxychalcone 98.0+%, TCI America™

CAS: 3420-72-2 Molecular Formula: C18H18O5 Molecular Weight (g/mol): 314.337 MDL Number: MFCD00017174 InChI Key: CGIBCVBDFUTMPT-RMKNXTFCSA-N Synonym: Flavokawain A PubChem CID: 5355469 IUPAC Name: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O

PubChem CID 5355469
CAS 3420-72-2
Molecular Weight (g/mol) 314.337
MDL Number MFCD00017174
SMILES COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O
Synonym Flavokawain A
IUPAC Name (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
InChI Key CGIBCVBDFUTMPT-RMKNXTFCSA-N
Molecular Formula C18H18O5
448

2-Chlorocinnamic Acid 98.0+%, TCI America™

CAS: 3752-25-8 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 MDL Number: MFCD00004372 InChI Key: KJRRTHHNKJBVBO-AATRIKPKSA-N Synonym: 2-chlorocinnamic acid,o-chlorocinnamic acid,3-2-chlorophenyl acrylic acid,2e-3-2-chlorophenyl acrylic acid,e-3-2-chlorophenyl acrylic acid,cinnamic acid, o-chloro,2e-3-2-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-2-chlorophenyl,e-o-chlorocinnamic acid,3-2-chlorophenyl-2-propenoic acid PubChem CID: 700642 IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid SMILES: C1=CC=C(C(=C1)C=CC(=O)O)Cl

PubChem CID 700642
CAS 3752-25-8
Molecular Weight (g/mol) 182.603
MDL Number MFCD00004372
SMILES C1=CC=C(C(=C1)C=CC(=O)O)Cl
Synonym 2-chlorocinnamic acid,o-chlorocinnamic acid,3-2-chlorophenyl acrylic acid,2e-3-2-chlorophenyl acrylic acid,e-3-2-chlorophenyl acrylic acid,cinnamic acid, o-chloro,2e-3-2-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-2-chlorophenyl,e-o-chlorocinnamic acid,3-2-chlorophenyl-2-propenoic acid
IUPAC Name (E)-3-(2-chlorophenyl)prop-2-enoic acid
InChI Key KJRRTHHNKJBVBO-AATRIKPKSA-N
Molecular Formula C9H7ClO2
449

Daunorubicin Hydrochloride 98.0+%, TCI America™

CAS: 23541-50-6 Molecular Formula: C27H30ClNO10 Molecular Weight (g/mol): 563.984 MDL Number: MFCD04974507 InChI Key: GUGHGUXZJWAIAS-QQYBVWGSSA-N Synonym: daunorubicin hydrochloride,daunorubicin hcl,daunomycin hydrochloride,daunoblastina,rubidomycin hydrochloride,daunorubicinol hydrochloride,daunoblastin,rubomycin,ondena,daunomycin chlorohydrate PubChem CID: 62770 IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O.Cl

PubChem CID 62770
CAS 23541-50-6
Molecular Weight (g/mol) 563.984
MDL Number MFCD04974507
SMILES CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O.Cl
Synonym daunorubicin hydrochloride,daunorubicin hcl,daunomycin hydrochloride,daunoblastina,rubidomycin hydrochloride,daunorubicinol hydrochloride,daunoblastin,rubomycin,ondena,daunomycin chlorohydrate
IUPAC Name (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
InChI Key GUGHGUXZJWAIAS-QQYBVWGSSA-N
Molecular Formula C27H30ClNO10
450

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