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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 (930)
Cinnamic acids and derivatives (918)
Linear 1 3-diarylpropanoids (794)
Coumarins and derivatives (717)
Depsides and depsidones (508)
Phenylpropanoic acids (342)
Isoflavonoids (221)
Cinnamaldehydes (134)
Stilbenes (109)
Macrolide lactams (93)
Anthracyclines (89)
Macrolides and analogues (74)
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Cinnamyl alcohols (59)
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Macrolactams (23)
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Neoflavonoids (14)
Ochratoxins and related substances (11)
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4,396 – 4,410 of 4,413 results
4,396

3-(2-Methoxyphenyl)propionic Acid 98.0+%, TCI America™

CAS: 6342-77-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002772 InChI Key: XSZSNLOPIWWFHS-UHFFFAOYSA-N Synonym: 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611 PubChem CID: 80652 IUPAC Name: 3-(2-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC=C1CCC(=O)O

PubChem CID 80652
CAS 6342-77-4
Molecular Weight (g/mol) 180.203
MDL Number MFCD00002772
SMILES COC1=CC=CC=C1CCC(=O)O
Synonym 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611
IUPAC Name 3-(2-methoxyphenyl)propanoic acid
InChI Key XSZSNLOPIWWFHS-UHFFFAOYSA-N
Molecular Formula C10H12O3
4,397

Bis(4-methoxycarbonylphenyl) Terephthalate 97.0+%, TCI America™

CAS: 99328-23-1 Molecular Formula: C24H18O8 Molecular Weight (g/mol): 434.4 MDL Number: MFCD00145360 InChI Key: XLVVPIVANBPSAY-UHFFFAOYSA-N Synonym: Terephthalic Acid Bis[4-(methoxycarbonyl)phenyl] Ester, DLC PubChem CID: 13878968 IUPAC Name: bis(4-methoxycarbonylphenyl) benzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC

PubChem CID 13878968
CAS 99328-23-1
Molecular Weight (g/mol) 434.4
MDL Number MFCD00145360
SMILES COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC
Synonym Terephthalic Acid Bis[4-(methoxycarbonyl)phenyl] Ester, DLC
IUPAC Name bis(4-methoxycarbonylphenyl) benzene-1,4-dicarboxylate
InChI Key XLVVPIVANBPSAY-UHFFFAOYSA-N
Molecular Formula C24H18O8
4,398

4-Hexyloxyphenyl 4-Pentylbenzoate 99.0+%, TCI America™

CAS: 50802-52-3 Molecular Formula: C24H32O3 Molecular Weight (g/mol): 368.517 MDL Number: MFCD00059437 InChI Key: QOSDDNTYRMLJLY-UHFFFAOYSA-N Synonym: 4-Amylbenzoic Acid 4-Hexyloxyphenyl Ester, 4-Pentylbenzoic Acid 4-Hexyloxyphenyl Ester PubChem CID: 3084945 IUPAC Name: (4-hexoxyphenyl) 4-pentylbenzoate SMILES: CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC

PubChem CID 3084945
CAS 50802-52-3
Molecular Weight (g/mol) 368.517
MDL Number MFCD00059437
SMILES CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCCC
Synonym 4-Amylbenzoic Acid 4-Hexyloxyphenyl Ester, 4-Pentylbenzoic Acid 4-Hexyloxyphenyl Ester
IUPAC Name (4-hexoxyphenyl) 4-pentylbenzoate
InChI Key QOSDDNTYRMLJLY-UHFFFAOYSA-N
Molecular Formula C24H32O3
4,399

4,4'-Difluorochalcone 97.0+%, TCI America™

CAS: 2805-56-3 Molecular Formula: C15H10F2O Molecular Weight (g/mol): 244.24 MDL Number: MFCD00219906 InChI Key: AZBVDMNDUOURGI-XCVCLJGOSA-N Synonym: 4,4'-difluorochalcone,e-1,3-bis 4-fluorophenyl prop-2-en-1-one,2e-1,3-bis 4-fluorophenyl prop-2-en-1-one,1,3-bis 4-fluorophenyl prop-2-en-1-one,trans-4,4'-difluorochalcone,2-propen-1-one,1,3-bis 4-fluorophenyl,4,4'-difluoro chalcone,4,4/'-difluorochalcone,e-4,4'-difluorochalcone,azbvdmnduourgi-xcvcljgosa PubChem CID: 5286094 IUPAC Name: (2E)-1,3-bis(4-fluorophenyl)prop-2-en-1-one SMILES: FC1=CC=C(\C=C\C(=O)C2=CC=C(F)C=C2)C=C1

PubChem CID 5286094
CAS 2805-56-3
Molecular Weight (g/mol) 244.24
MDL Number MFCD00219906
SMILES FC1=CC=C(\C=C\C(=O)C2=CC=C(F)C=C2)C=C1
Synonym 4,4'-difluorochalcone,e-1,3-bis 4-fluorophenyl prop-2-en-1-one,2e-1,3-bis 4-fluorophenyl prop-2-en-1-one,1,3-bis 4-fluorophenyl prop-2-en-1-one,trans-4,4'-difluorochalcone,2-propen-1-one,1,3-bis 4-fluorophenyl,4,4'-difluoro chalcone,4,4/'-difluorochalcone,e-4,4'-difluorochalcone,azbvdmnduourgi-xcvcljgosa
IUPAC Name (2E)-1,3-bis(4-fluorophenyl)prop-2-en-1-one
InChI Key AZBVDMNDUOURGI-XCVCLJGOSA-N
Molecular Formula C15H10F2O
4,400

1,3-Diphenylpropanetrione 98.0+%, TCI America™

CAS: 643-75-4 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.24 MDL Number: MFCD00191426 InChI Key: RXVBJUZEFSAYPW-UHFFFAOYSA-N Synonym: Dibenzoyl Ketone PubChem CID: 223850 IUPAC Name: diphenylpropane-1,2,3-trione SMILES: O=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1

PubChem CID 223850
CAS 643-75-4
Molecular Weight (g/mol) 238.24
MDL Number MFCD00191426
SMILES O=C(C(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
Synonym Dibenzoyl Ketone
IUPAC Name diphenylpropane-1,2,3-trione
InChI Key RXVBJUZEFSAYPW-UHFFFAOYSA-N
Molecular Formula C15H10O3
4,401

4-Nitrocinnamaldehyde 98.0+%, TCI America™

CAS: 1734-79-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00007379 InChI Key: ALGQVMMYDWQDEC-OWOJBTEDSA-N Synonym: 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal PubChem CID: 5354135 IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enal SMILES: C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]

PubChem CID 5354135
CAS 1734-79-8
Molecular Weight (g/mol) 177.159
MDL Number MFCD00007379
SMILES C1=CC(=CC=C1C=CC=O)[N+](=O)[O-]
Synonym 4-nitrocinnamaldehyde,3-4-nitrophenyl acrylaldehyde,p-nitrocinnamaldehyde,2-propenal, 3-4-nitrophenyl,cinnamaldehyde, p-nitro,trans-4-nitrocinnamaldehyde,e-3-4-nitrophenyl acrylaldehyde,3-4-nitrophenyl-2-propenal,unii-48r8lam7yx,2e-3-4-nitrophenyl prop-2-enal
IUPAC Name (E)-3-(4-nitrophenyl)prop-2-enal
InChI Key ALGQVMMYDWQDEC-OWOJBTEDSA-N
Molecular Formula C9H7NO3
4,402

4-Azidocoumarin 98.0+%, TCI America™

CAS: 42373-56-8 Molecular Formula: C9H5N3O2 Molecular Weight (g/mol): 187.158 InChI Key: IUICMSYHSPWQPN-UHFFFAOYSA-N PubChem CID: 375228 IUPAC Name: 4-azidochromen-2-one SMILES: C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]

PubChem CID 375228
CAS 42373-56-8
Molecular Weight (g/mol) 187.158
SMILES C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]
IUPAC Name 4-azidochromen-2-one
InChI Key IUICMSYHSPWQPN-UHFFFAOYSA-N
Molecular Formula C9H5N3O2
4,403

Zearalenone, Tocris Bioscience™

CAS: 17924-92-4 Molecular Formula: C18H22O5 Molecular Weight (g/mol): 318.369 InChI Key: MBMQEIFVQACCCH-QBODLPLBSA-N Synonym: zearalenone,--zearalenone,trans-zearalenone,f-2 toxin,mycotoxin f2,s---zearalenone,zenone,s-zearalenone,toxin f2,10s-zearalenone PubChem CID: 5281576 ChEBI: CHEBI:10106 IUPAC Name: (2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione SMILES: CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O

PubChem CID 5281576
CAS 17924-92-4
Molecular Weight (g/mol) 318.369
ChEBI CHEBI:10106
SMILES CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O
Synonym zearalenone,--zearalenone,trans-zearalenone,f-2 toxin,mycotoxin f2,s---zearalenone,zenone,s-zearalenone,toxin f2,10s-zearalenone
IUPAC Name (2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
InChI Key MBMQEIFVQACCCH-QBODLPLBSA-N
Molecular Formula C18H22O5
4,404

AG 556, Tocris Bioscience™

CAS: 133550-41-1 Molecular Formula: C20H20N2O3 Molecular Weight (g/mol): 336.391 InChI Key: GWCNJMUSWLTSCW-SFQUDFHCSA-N Synonym: tyrphostin b56,e-2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl prop-2-enamide,2e-2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl prop-2-enamide,tyrphostin ag 556,tyrphostin ag556,tyrphostin ag-556,tocris-0616,tyrphostin deriv. 56,2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl acrylamide,alpha-cyano-3,4-dihydroxy-n-4-phenylbutyl cinnamide PubChem CID: 5328775 IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CCCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

PubChem CID 5328775
CAS 133550-41-1
Molecular Weight (g/mol) 336.391
SMILES C1=CC=C(C=C1)CCCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Synonym tyrphostin b56,e-2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl prop-2-enamide,2e-2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl prop-2-enamide,tyrphostin ag 556,tyrphostin ag556,tyrphostin ag-556,tocris-0616,tyrphostin deriv. 56,2-cyano-3-3,4-dihydroxyphenyl-n-4-phenylbutyl acrylamide,alpha-cyano-3,4-dihydroxy-n-4-phenylbutyl cinnamide
IUPAC Name (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide
InChI Key GWCNJMUSWLTSCW-SFQUDFHCSA-N
Molecular Formula C20H20N2O3
4,405

Cinanserin hydrochloride, Tocris Bioscience™

CAS: 54-84-2 Molecular Formula: C20H25ClN2OS Molecular Weight (g/mol): 376.943 InChI Key: LXGJPDKYMJJWRB-IERUDJENSA-N Synonym: cinanserin hydrochloride,cinnanserin,maptc,cinanserin hcl,unii-f65z32ki62,cinanserin hydrochloride usan,2'-3-dimethylamino propyl thio cinnamanilide hydrochloride,2'-3-dimethylamino propyl thio cinnamanilide monohydrochloride,2-propenamide, n-2-3-dimethylamino propyl thio phenyl-3-phenyl-, monohydrochloride PubChem CID: 6433141 IUPAC Name: (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride SMILES: CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl

PubChem CID 6433141
CAS 54-84-2
Molecular Weight (g/mol) 376.943
SMILES CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl
Synonym cinanserin hydrochloride,cinnanserin,maptc,cinanserin hcl,unii-f65z32ki62,cinanserin hydrochloride usan,2'-3-dimethylamino propyl thio cinnamanilide hydrochloride,2'-3-dimethylamino propyl thio cinnamanilide monohydrochloride,2-propenamide, n-2-3-dimethylamino propyl thio phenyl-3-phenyl-, monohydrochloride
IUPAC Name (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride
InChI Key LXGJPDKYMJJWRB-IERUDJENSA-N
Molecular Formula C20H25ClN2OS
4,406

AG 825, Tocris Bioscience™

CAS: 149092-50-2 Molecular Formula: C19H15N3O3S2 Molecular Weight (g/mol): 397.47 MDL Number: MFCD01074971 InChI Key: KXDONFLNGBQLTN-UHFFFAOYSA-N Synonym: tyrphostin ag 825,tyrphostin c15,4-hydroxy-3-methoxy-5-benzothiazolylthiomethyl benzylidenecyanoacetamide,5-benzothiazol-2-yl thiomethyl-4-hydroxy-3-methoxybenzylidenecyanoacetamide,2e-3-3-1,3-benzothiazol-2-ylsulfanyl methyl-4-hydroxy-5-methoxyphenyl-2-cyanoprop-2-enamide,tocris-1555,biomolki_000008,biomolki2_000018,bmk1-b8,tyrphostin ag PubChem CID: 6091659 ChEBI: CHEBI:75405 IUPAC Name: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide SMILES: COC1=CC(C=C(C#N)C(N)=O)=CC(CSC2=NC3=CC=CC=C3S2)=C1O

PubChem CID 6091659
CAS 149092-50-2
Molecular Weight (g/mol) 397.47
ChEBI CHEBI:75405
MDL Number MFCD01074971
SMILES COC1=CC(C=C(C#N)C(N)=O)=CC(CSC2=NC3=CC=CC=C3S2)=C1O
Synonym tyrphostin ag 825,tyrphostin c15,4-hydroxy-3-methoxy-5-benzothiazolylthiomethyl benzylidenecyanoacetamide,5-benzothiazol-2-yl thiomethyl-4-hydroxy-3-methoxybenzylidenecyanoacetamide,2e-3-3-1,3-benzothiazol-2-ylsulfanyl methyl-4-hydroxy-5-methoxyphenyl-2-cyanoprop-2-enamide,tocris-1555,biomolki_000008,biomolki2_000018,bmk1-b8,tyrphostin ag
IUPAC Name 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide
InChI Key KXDONFLNGBQLTN-UHFFFAOYSA-N
Molecular Formula C19H15N3O3S2
4,407

FFN 511, Tocris Bioscience™

CAS: 1004548-96-2 Molecular Formula: C19H21F3N2O4 Molecular Weight (g/mol): 398.382 InChI Key: XHUSAIWAUAMZRG-UHFFFAOYSA-N Synonym: ffn511 tfa salt PubChem CID: 91885442 SMILES: C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)CCN)CCCN3C1.C(=O)(C(F)(F)F)O

PubChem CID 91885442
CAS 1004548-96-2
Molecular Weight (g/mol) 398.382
SMILES C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)CCN)CCCN3C1.C(=O)(C(F)(F)F)O
Synonym ffn511 tfa salt
InChI Key XHUSAIWAUAMZRG-UHFFFAOYSA-N
Molecular Formula C19H21F3N2O4
4,408

(S)-(+)-Ibuprofen, Tocris Bioscience™

CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

PubChem CID 39912
CAS 51146-56-6
Molecular Weight (g/mol) 206.285
ChEBI CHEBI:43415
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula C13H18O2
4,409

Clocinnamox mesylate, Tocris Bioscience™

CAS: 117332-69-1 Molecular Formula: C30H33ClN2O7S Molecular Weight (g/mol): 601.111 InChI Key: XAXNKAGAUFXFDO-TYMYTQEGSA-N Synonym: clocinnamox mesylate,14?-p-chlorocinnamoylamino-7,8-dihydro-n-cyclopropylmethylmorphinone mesylate PubChem CID: 133655490 IUPAC Name: (E)-N-[(4S,4aR,7aS,12bS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl]-3-(4-chlorophenyl)prop-2-enamide;methanesulfonic acid SMILES: CS(=O)(=O)O.C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)C=CC7=CC=C(C=C7)Cl

PubChem CID 133655490
CAS 117332-69-1
Molecular Weight (g/mol) 601.111
SMILES CS(=O)(=O)O.C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)C=CC7=CC=C(C=C7)Cl
Synonym clocinnamox mesylate,14?-p-chlorocinnamoylamino-7,8-dihydro-n-cyclopropylmethylmorphinone mesylate
IUPAC Name (E)-N-[(4S,4aR,7aS,12bS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a-yl]-3-(4-chlorophenyl)prop-2-enamide;methanesulfonic acid
InChI Key XAXNKAGAUFXFDO-TYMYTQEGSA-N
Molecular Formula C30H33ClN2O7S
4,410

Apigenin, Tocris Bioscience™

CAS: 520-36-5 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00006831 InChI Key: KZNIFHPLKGYRTM-UHFFFAOYSA-N Synonym: apigenin,5,7-dihydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,chamomile,spigenin,versulin,apigenol,4',5,7-trihydroxyflavone,apigenine,c.i. natural yellow 1,5,7,4'-trihydroxyflavone PubChem CID: 5280443 ChEBI: CHEBI:18388 IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

PubChem CID 5280443
CAS 520-36-5
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:18388
MDL Number MFCD00006831
SMILES OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
Synonym apigenin,5,7-dihydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,chamomile,spigenin,versulin,apigenol,4',5,7-trihydroxyflavone,apigenine,c.i. natural yellow 1,5,7,4'-trihydroxyflavone
IUPAC Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
InChI Key KZNIFHPLKGYRTM-UHFFFAOYSA-N
Molecular Formula C15H10O5