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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 (938)
Flavonoids (928)
Linear 1 3-diarylpropanoids (804)
Coumarins and derivatives (714)
Depsides and depsidones (521)
Phenylpropanoic acids (346)
Isoflavonoids (222)
Cinnamaldehydes (131)
Stilbenes (111)
Macrolide lactams (93)
Anthracyclines (90)
Macrolides and analogues (74)
Tetracyclines (64)
Cinnamyl alcohols (60)
Isocoumarins and derivatives (30)
Macrolactams (24)
Dihydrocoumarins (16)
Neoflavonoids (14)
Ochratoxins and related substances (11)
Angucyclines (1)

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76 – 90 of 4,459 results
76

Diosmin

CAS: 520-27-4 Molecular Formula: C28H32O15 Molecular Weight (g/mol): 608.549 MDL Number: MFCD00009772 InChI Key: GZSOSUNBTXMUFQ-YFAPSIMESA-N Synonym: diosmin,barosmin,diosmine,venosmine,diosmil,flebosten,daflon,diosimin,diosminum,tovene PubChem CID: 5281613 ChEBI: CHEBI:4631 IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O

PubChem CID 5281613
CAS 520-27-4
Molecular Weight (g/mol) 608.549
ChEBI CHEBI:4631
MDL Number MFCD00009772
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
Synonym diosmin,barosmin,diosmine,venosmine,diosmil,flebosten,daflon,diosimin,diosminum,tovene
IUPAC Name 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
InChI Key GZSOSUNBTXMUFQ-YFAPSIMESA-N
Molecular Formula C28H32O15
77

p-Coumaric Acid, 98+%, (Crystalline), MP Biomedicals

CAS: 7400-08-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 InChI Key: NGSWKAQJJWESNS-ZZXKWVIFSA-N Synonym: p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid PubChem CID: 637542 ChEBI: CHEBI:32374 IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)O

PubChem CID 637542
CAS 7400-08-0
Molecular Weight (g/mol) 164.16
ChEBI CHEBI:32374
SMILES C1=CC(=CC=C1C=CC(=O)O)O
Synonym p-coumaric acid,4-hydroxycinnamic acid,p-hydroxycinnamic acid,4-coumaric acid,trans-4-hydroxycinnamic acid,trans-p-coumaric acid,p-cumaric acid,3-4-hydroxyphenyl acrylic acid,para-coumaric acid,hydroxycinnamic acid
IUPAC Name (E)-3-(4-hydroxyphenyl)prop-2-enoic acid
InChI Key NGSWKAQJJWESNS-ZZXKWVIFSA-N
Molecular Formula C9H8O3
78
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Avobenzone, 97%, Spectrum™ Chemical
SDP

CAS: 70356-09-1 Molecular Formula: C20H22O3 Molecular Weight (g/mol): 310.39 MDL Number: MFCD00210252 InChI Key: XNEFYCZVKIDDMS-UHFFFAOYSA-N 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

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
79

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
80
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Ibuprofen, USP, 97-103%, Spectrum™ Chemical
SDP

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

CAS 15687-27-1
Molecular Weight (g/mol) 206.29
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
81

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
82

Daunorubicin hydrochloride

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
83

Pentafluorophenyl 3-(pyrid-2-yloxy)benzoate, 97%, Thermo Scientific™

CAS: 921938-61-6 Molecular Formula: C18H8F5NO3 Molecular Weight (g/mol): 381.258 MDL Number: MFCD09064956 InChI Key: LKCOLTBNDUOLEF-UHFFFAOYSA-N Synonym: pentafluorophenyl 3-pyrid-2-yloxy benzoate,pentafluorophenyl 3-pyridin-2-yloxy benzoate,pentafluorophenyl 3-pyridin-2-yl oxy benzoate,2,3,4,5,6-pentafluorophenyl 3-pyridin-2-yloxy benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-pyridin-2-yloxybenzoate,3-2-pyridinyloxy benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229506 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-pyridin-2-yloxybenzoate SMILES: C1=CC=NC(=C1)OC2=CC=CC(=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

PubChem CID 24229506
CAS 921938-61-6
Molecular Weight (g/mol) 381.258
MDL Number MFCD09064956
SMILES C1=CC=NC(=C1)OC2=CC=CC(=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
Synonym pentafluorophenyl 3-pyrid-2-yloxy benzoate,pentafluorophenyl 3-pyridin-2-yloxy benzoate,pentafluorophenyl 3-pyridin-2-yl oxy benzoate,2,3,4,5,6-pentafluorophenyl 3-pyridin-2-yloxy benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-pyridin-2-yloxybenzoate,3-2-pyridinyloxy benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 3-pyridin-2-yloxybenzoate
InChI Key LKCOLTBNDUOLEF-UHFFFAOYSA-N
Molecular Formula C18H8F5NO3
84

Genistein, MP Biomedicals™

CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280961
CAS 446-72-0
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:28088
MDL Number MFCD00016952
SMILES OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein
IUPAC Name 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
85
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3-Methoxycinnamic acid, predominantly trans, 98+%

CAS: 1533748 MDL Number: MFCD00004386

CAS 1533748
MDL Number MFCD00004386
86
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3-(4-Chloro-3-fluorophenyl)propionic acid, 96%

CAS: 881189-65-7 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.609 MDL Number: MFCD04116058 InChI Key: GDXMVKNNJGWZFN-UHFFFAOYSA-N Synonym: 3-4-chloro-3-fluorophenyl propionic acid,3-4-chloro-3-fluorophenyl propanoic acid,benzenepropanoic acid, 4-chloro-3-fluoro,3-4-chloro-3-fluoro-phenyl-propionic acid,4-chloro-3-fluorobenzenepropanoic acid,3-4-chloro-3-fluorophenyl propionicacid PubChem CID: 4680108 IUPAC Name: 3-(4-chloro-3-fluorophenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)F)Cl

PubChem CID 4680108
CAS 881189-65-7
Molecular Weight (g/mol) 202.609
MDL Number MFCD04116058
SMILES C1=CC(=C(C=C1CCC(=O)O)F)Cl
Synonym 3-4-chloro-3-fluorophenyl propionic acid,3-4-chloro-3-fluorophenyl propanoic acid,benzenepropanoic acid, 4-chloro-3-fluoro,3-4-chloro-3-fluoro-phenyl-propionic acid,4-chloro-3-fluorobenzenepropanoic acid,3-4-chloro-3-fluorophenyl propionicacid
IUPAC Name 3-(4-chloro-3-fluorophenyl)propanoic acid
InChI Key GDXMVKNNJGWZFN-UHFFFAOYSA-N
Molecular Formula C9H8ClFO2
87

(-)-Epigallocatechin

CAS: 970-74-1 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD00075939 InChI Key: XMOCLSLCDHWDHP-IUODEOHRSA-N Synonym: --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol PubChem CID: 72277 ChEBI: CHEBI:42255 IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O

PubChem CID 72277
CAS 970-74-1
Molecular Weight (g/mol) 306.27
ChEBI CHEBI:42255
MDL Number MFCD00075939
SMILES C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
Synonym --epigallocatechin,epigallocatechin,epigallocatechol,l-epigallocatechin,epi-gallocatechin,antiscurvy factor c2,--epigallocatechol,l-epigallocatechol,--3,3',4',5,5',7-flavanhexol,3,3',4',5,5',7-flavanhexol
IUPAC Name (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI Key XMOCLSLCDHWDHP-IUODEOHRSA-N
Molecular Formula C15H14O7
88
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3-Aminocoumarin, 97%

CAS: 1635-31-0 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00016965 InChI Key: QWZHDKGQKYEBKK-UHFFFAOYSA-N Synonym: 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous PubChem CID: 74217 IUPAC Name: 3-aminochromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)N

PubChem CID 74217
CAS 1635-31-0
Molecular Weight (g/mol) 161.16
MDL Number MFCD00016965
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)N
Synonym 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous
IUPAC Name 3-aminochromen-2-one
InChI Key QWZHDKGQKYEBKK-UHFFFAOYSA-N
Molecular Formula C9H7NO2
89

Hesperidin, 95%

CAS: 520-26-3 Molecular Formula: C28H34O15 Molecular Weight (g/mol): 610.57 MDL Number: MFCD00075663 InChI Key: QUQPHWDTPGMPEX-QJBIFVCTSA-N Synonym: Hesperetin 7-rhamnoglucoside; Hesperitin-7-rutinoside PubChem CID: 45358131 IUPAC Name: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1

PubChem CID 45358131
CAS 520-26-3
Molecular Weight (g/mol) 610.57
MDL Number MFCD00075663
SMILES COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
Synonym Hesperetin 7-rhamnoglucoside; Hesperitin-7-rutinoside
IUPAC Name (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key QUQPHWDTPGMPEX-QJBIFVCTSA-N
Molecular Formula C28H34O15
90
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1,3-Diphenylpropane, 98%

CAS: 1081-75-0 Molecular Formula: C15H16 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00043574 InChI Key: VEAFKIYNHVBNIP-UHFFFAOYSA-N Synonym: 1,3-diphenylpropane,3-phenylpropyl benzene,dibenzylmethane,propane, 1,3-diphenyl,unii-x3diq9w9po,3-phenyl-propyl-benzene,x3diq9w9po,benzene, 1,1'-1,3-propanediyl bis,propane, 1,3-diphenyl-8ci,benzene, 1,1'-1,3-propanediyl bis-9ci PubChem CID: 14125 ChEBI: CHEBI:34060 IUPAC Name: 3-phenylpropylbenzene SMILES: C(CC1=CC=CC=C1)CC1=CC=CC=C1

PubChem CID 14125
CAS 1081-75-0
Molecular Weight (g/mol) 196.29
ChEBI CHEBI:34060
MDL Number MFCD00043574
SMILES C(CC1=CC=CC=C1)CC1=CC=CC=C1
Synonym 1,3-diphenylpropane,3-phenylpropyl benzene,dibenzylmethane,propane, 1,3-diphenyl,unii-x3diq9w9po,3-phenyl-propyl-benzene,x3diq9w9po,benzene, 1,1'-1,3-propanediyl bis,propane, 1,3-diphenyl-8ci,benzene, 1,1'-1,3-propanediyl bis-9ci
IUPAC Name 3-phenylpropylbenzene
InChI Key VEAFKIYNHVBNIP-UHFFFAOYSA-N
Molecular Formula C15H16