Phenylpropanoids and polyketides
3-Nitrocinnamic Acid 98.0+%, TCI America™
CAS: 555-68-0 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 MDL Number: MFCD00007277 InChI Key: WWXMVRYHLZMQIG-SNAWJCMRSA-N Synonym: 3-nitrocinnamic acid,m-nitrocinnamic acid,3-nitro-cinnamic acid,cinnamic acid, m-nitro,trans-3-nitrocinnamic acid,3-nitrobenzenepropenoic acid,e-3-3-nitrophenyl-2-propenoic acid,2e-3-3-nitrophenyl prop-2-enoic acid,2e-3-3-nitrophenyl acrylic acid,unii-z5wu65j930 PubChem CID: 687126 ChEBI: CHEBI:60706 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)O
2,4-Dimethoxy-beta-methylcinnamic Acid 98.0+%, TCI America™
CAS: 7706-67-4 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00512029 InChI Key: VNLOISSPTMDCIF-SOFGYWHQSA-N Synonym: 3-(2,4-Dimethoxyphenyl)-2-butenoic Acid PubChem CID: 6445007 IUPAC Name: (E)-3-(2,4-dimethoxyphenyl)but-2-enoic acid SMILES: CC(=CC(=O)O)C1=C(C=C(C=C1)OC)OC
trans-2,4-Dichlorocinnamic Acid 98.0+%, TCI America™
CAS: 20595-45-3 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004373 InChI Key: MEBWABJHRAYGFW-DUXPYHPUSA-N Synonym: 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid PubChem CID: 688026 IUPAC Name: (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O
4-Nitrocinnamyl Alcohol 98.0+%, TCI America™
CAS: 1504-63-8 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00017045 InChI Key: LGXXEDSIJZHDBN-OWOJBTEDSA-N Synonym: 4-nitrocinnamyl alcohol,2e-3-4-nitrophenyl prop-2-en-1-ol,e-3-4-nitrophenyl prop-2-en-1-ol,p-nitrocinnamyl alcohol,3-4-nitrophenyl prop-2-en-1-ol,2-propen-1-ol, 3-4-nitrophenyl,2-propen-1-ol, 3-p-nitrophenyl,3-p-nitrophenyl allyl alcohol,3-4-nitrophenyl-2-propenol PubChem CID: 5462894 IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-en-1-ol SMILES: C1=CC(=CC=C1C=CCO)[N+](=O)[O-]
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
3-(3,4-Dimethoxyphenyl)propionic Acid 98.0+%, TCI America™
CAS: 2107-70-2 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00002774 InChI Key: LHHKQWQTBCTDQM-UHFFFAOYSA-N Synonym: 3-3,4-dimethoxyphenyl propionic acid,3-3,4-dimethoxyphenyl propanoic acid,3,4-dimethoxyhydrocinnamic acid,benzenepropanoic acid, 3,4-dimethoxy,3-3,4-dimethoxyphenyl-propionic acid,3-3,4-dimethoxy-phenyl-propionic acid,unii-6xo32zsp1d,6xo32zsp1d,3-3',4'-dimethoxyphenyl propanoic acid,3-3,4-dimethoxyphenyl propionicacid PubChem CID: 75019 ChEBI: CHEBI:44235 IUPAC Name: 3-(3,4-dimethoxyphenyl)propanoic acid SMILES: COC1=C(C=C(C=C1)CCC(=O)O)OC
1,3-Diphenylacetone p-Toluenesulfonylhydrazone 98.0+%, TCI America™
CAS: 19816-88-7 Molecular Formula: C22H22N2O2S Molecular Weight (g/mol): 378.49 MDL Number: MFCD00009645 InChI Key: GDXUEUWCUUAZFM-UHFFFAOYSA-N Synonym: 1,3-diphenylacetone p-toluenesulfonylhydrazone,1,3-diphenylacetone p-tosylhydrazone,1,3-diphenyl-2-propanone tosylhydrazone,1,3-diphenylpropan-2-one tosylhydrazone,n'-1,3-diphenylpropan-2-ylidene-4-methylbenzenesulfonohydrazide,1,3-diphenyl-2-propanone p-tosylhydrazone,n-1,3-diphenylpropan-2-ylideneamino-4-methylbenzenesulfonamide,acmc-209f2n,dibenzyl ketone tosyl hydrazone,benzenesulfonic acid, 4-methyl-, 2-phenyl-1-phenylmethyl ethylidene hydrazide PubChem CID: 88263 IUPAC Name: N'-(1,3-diphenylpropan-2-ylidene)-4-methylbenzene-1-sulfonohydrazide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=C(CC1=CC=CC=C1)CC1=CC=CC=C1
Naphthalene-1,4,5,8-tetracarboxylic Dianhydride 97.0+%, TCI America™
CAS: 81-30-1 Molecular Formula: C14H4O6 Molecular Weight (g/mol): 268.18 MDL Number: MFCD00006915 InChI Key: YTVNOVQHSGMMOV-UHFFFAOYSA-N Synonym: 1,4,5,8-naphthalenetetracarboxylic dianhydride,ntcda,naphthalenetetracarboxylic dianhydride,isochromeno 6,5,4-def isochromene-1,3,6,8-tetraone,ntda,unii-l56xqd1v6y,2,7-dioxapyrene-1,3,6,8-tetrone,naphthalene-1,8:4,5-tetracarboxylic dianhydride,1,8:4,5-naphthalenetetracarboxylic dianhydride,naphthalene-1,4,5,8-tetracarboxylic dianhydride PubChem CID: 6678 SMILES: C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O
4-Methoxychalcone 98.0+%, TCI America™
CAS: 959-33-1 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00017179 InChI Key: XUFXKBJMCRJATM-FMIVXFBMSA-N Synonym: 4-methoxychalcone,e-3-4-methoxyphenyl-1-phenylprop-2-en-1-one,2e-3-4-methoxyphenyl-1-phenylprop-2-en-1-one,chalcone, 4-methoxy,3-4-methoxyphenyl-1-phenyl-2-propen-1-one,2-propen-1-one, 3-4-methoxyphenyl-1-phenyl,2-propen-1-one, 3-4-methoxyphenyl-1-phenyl-, 2e,phenyl p-methoxystyryl ketone,4'-methoxybenzylideneacetophenone,3-4-methoxyphenyl-1-phenylprop-2-en-1-one PubChem CID: 641819 IUPAC Name: (E)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2
Loxoprofen Sodium Salt Dihydrate 98.0+%, TCI America™
CAS: 226721-96-6 Molecular Formula: C15H21NaO5 Molecular Weight (g/mol): 304.318 MDL Number: MFCD01745788 InChI Key: BAZQYVYVKYOAGO-UHFFFAOYSA-M Synonym: Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate, 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt PubChem CID: 23674745 ChEBI: CHEBI:31786 IUPAC Name: sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate SMILES: CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].O.O.[Na+]
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
Neohesperidin Dihydrochalcone Hydrate 98.0+%, TCI America™
CAS: 20702-77-6 Molecular Formula: C28H36O15 Molecular Weight (g/mol): 612.58 MDL Number: MFCD00017711 InChI Key: ITVGXXMINPYUHD-UHFFFAOYSA-N Synonym: neohesperidin dihydrochalcone,nhdc,neohesperidin dc,neohesperidin dhc,unii-3x476d83qv,ccris 4848,neosperidin dihydrochalcone,neohesperidine dihydrochalcone,1-4-2-o-6-deoxy-alpha-l-mannopyranosyl-beta-d-glucopyranosyl oxy-2,6-dihydroxyphenyl-3-3-hydroxy-4-methoxyphenyl propan-1-one,1-4-2-o-6-deoxy-alpha-l-mannopyranosyl-beta-d-glucopyranosyl oxy-2,6-dihydroxyphenyl-3-3-hydroxy-4-methoxyphenyl PubChem CID: 30231 ChEBI: CHEBI:83535 IUPAC Name: 1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one SMILES: COC1=C(O)C=C(CCC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O)C=C1
Xanthohumol 97.0+%, TCI America™
CAS: 6754-58-1 Molecular Formula: C21H22O5 Molecular Weight (g/mol): 354.402 MDL Number: MFCD00210576 InChI Key: ORXQGKIUCDPEAJ-YRNVUSSQSA-N Synonym: xanthohumol,1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,unii-t4467yt1nt,2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone,1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl-2-propen-1-one,2e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,e-1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl propenone,e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-enyl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,xanthohumol from hop humulus lupulus,2',4,4'-trihydroxy-3'-prenyl-6'-methoxychalcone PubChem CID: 639665 ChEBI: CHEBI:66331 IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one SMILES: CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C
4-Nitrochalcone 95.0+%, TCI America™
CAS: 1222-98-6 Molecular Formula: C15H11NO3 Molecular Weight (g/mol): 253.257 MDL Number: MFCD00007382 InChI Key: WDZGGAFMGIOIQS-DHZHZOJOSA-N Synonym: 4-nitrochalcone,p-nitrostyryl phenyl ketone,chalcone, 4-nitro,p-nitrobenzylideneacetophenone,trans-4-nitrochalcone,4-nitrocalone italian,unii-yt67d88ody,3-4-nitrophenyl-1-phenyl-2-propen-1-one,p-nitrobenzylidene acetophenone,ccris 1669 PubChem CID: 5377323 IUPAC Name: (E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]
3-Nitrochalcone 98.0+%, TCI America™
CAS: 614-48-2 Molecular Formula: C15H11NO3 Molecular Weight (g/mol): 253.257 MDL Number: MFCD00024571 InChI Key: SMFBODMWKWBFOK-MDZDMXLPSA-N Synonym: 3-nitrochalcone,chalcone, 3-nitro,m-nitrobenzylidene acetophenone,2-propen-1-one, 3-3-nitrophenyl-1-phenyl,3-nitrobenzylideneacetophenone,ccris 1670,2e-3-3-nitrophenyl-1-phenylprop-2-en-1-one,e-3-3-nitrophenyl-1-phenyl-2-propen-1-one,e-3-3-nitrophenyl-1-phenylprop-2-en-1-one,e-3-3-nitrophenyl-1-phenyl-prop-2-en-1-one PubChem CID: 5369664 IUPAC Name: (E)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]