Phenylpropanoids and polyketides

Quercetin dihydrate, 97%, Alfa Aesar™

CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.268 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate, 2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate, quercetine dihydrate, quercetin, dihydrate, ccris 3304, 3,3',4',5,7-pentahydroxyflavone dihydrate, quercetin dihydrate sophoretin, flavone, 3,3',4',5,7-pentahydroxy-, dihydrate, dsstox_cid_1219, 2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O

Curcumin, 95% (total curcuminoid content), from Turmeric rhizome, Alfa Aesar™

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.385 MDL Number: MFCD00008365 InChI Key: VFLDPWHFBUODDF-FCXRPNKRSA-N Synonym: curcumin, diferuloylmethane, natural yellow 3, turmeric yellow, turmeric, curcuma, kacha haldi, gelbwurz, halad, curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

3,4,9,10-Perylenetetracarboxylic dianhydride, 98%, ACROS Organics™

CAS: 128-69-8 Molecular Formula: C24H8O6 Molecular Weight (g/mol): 392.32 MDL Number: MFCD00006916 InChI Key: CLYVDMAATCIVBF-UHFFFAOYSA-N Synonym: 3,4,9,10-perylenetetracarboxylic dianhydride, pigment red 224, ptcda, perylene-3,4,9,10-tetracarboxylic dianhydride, perylenetetracarboxylic anhydride, anthra 2,1,9-def:6,5,10-d'e'f' diisochromene-1,3,8,10-tetraone, perylo 3,4-cd:9,10-c'd' dipyran-1,3,8,10-tetrone, perylenetetracarboxylic acid dianhydride, 3,4:9,10-perylenetetracarboxylic anhydride PubChem CID: 67191 SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)OC7=O)C(=O)OC2=O

7-Hydroxy-4-methylcoumarin, 97%, ACROS Organics™

CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone, hymecromone, 7-hydroxy-4-methylcoumarin, imecromone, 7-hydroxy-4-methyl-2h-chromen-2-one, cholestil, mendiaxon, 4-methyl-7-hydroxycoumarin, beta-methylumbelliferone, bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O

Chlortetracycline hydrochloride, specified according to the requirements of Ph.Eur., ACROS Organics™

CAS: 64-72-2 Molecular Formula: C22H23ClN2O8·HCl Molecular Weight (g/mol): 515.33 MDL Number: MFCD00082440 InChI Key: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonym: chlortetracycline hydrochloride, 4-epi-chlortetracycline hydrochloride, 2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride, 2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride PubChem CID: 66577600 IUPAC Name: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl

Alfa Aesar™ Nujol, for IR spectroscopy

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride, delphinidin, delphinidine, delphinidol, ephdine, delfinidol chloride, unii-em6md4aehe, ccris 2518, em6md4aehe, 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

Alfa Aesar™ trans-4-Hydroxy-3-methoxycinnamic acid, 99%

CAS: 537-98-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: ferulic acid, trans-ferulic acid, 4-hydroxy-3-methoxycinnamic acid, trans-4-hydroxy-3-methoxycinnamic acid, 3-4-hydroxy-3-methoxyphenyl acrylic acid, e-ferulic acid, coniferic acid, ferulate, ferulic acid, trans, 2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

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

Alfa Aesar™ Tetracycline

CAS: 60-54-8 Molecular Formula: C22H24N2O8 Molecular Weight (g/mol): 444.44 MDL Number: MFCD00151232 InChI Key: NWXMGUDVXFXRIG-WESIUVDSSA-N PubChem CID: 54675776 IUPAC Name: (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O

Alfa Aesar™ Nujol (light oil)

CAS: 8012-95-1 Molecular Formula: C15H11ClO7 Molecular Weight (g/mol): 338.696 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride, delphinidin, delphinidine, delphinidol, ephdine, delfinidol chloride, unii-em6md4aehe, ccris 2518, em6md4aehe, 3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: C1=C(C=C(C(=C1O)O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-]

Alfa Aesar™ 3',4',5,7-Tetramethoxyflavone, 97%

CAS: 855-97-0 Molecular Formula: C19H18O6 Molecular Weight (g/mol): 342.347 MDL Number: MFCD00017558 InChI Key: CLXVBVLQKLQNRQ-UHFFFAOYSA-N Synonym: 3',4',5,7-tetramethoxyflavone, luteolin tetramethyl ether, tetramethoxyluteolin, 5,7,3',4'-tetramethylluteolin, tetramethylluteolin, 2-3,4-dimethoxyphenyl-5,7-dimethoxy-4h-chromen-4-one, luteolin tetramethylether, 2-3,4-dimethoxyphenyl-5,7-dimethoxychromen-4-one, luteolin 5,7,3',4'-tetramethyl ether, 4h-1-benzopyran-4-one, 2-3,4-dimethoxyphenyl-5,7-dimethoxy PubChem CID: 631170 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)OC)OC

Daidzein, 98%, ACROS Organics™

CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00016954 InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonym: daidzein, 4',7-dihydroxyisoflavone, daidzeol, 7,4'-dihydroxyisoflavone, 7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one, diadzein, 7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one, 4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl, 7-hydroxy-3-4-hydroxyphenyl chromen-4-one, 7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone PubChem CID: 5281708 ChEBI: CHEBI:28197 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

Acetylsalicylsalicylic acid, 97%, ACROS Organics™

CAS: 530-75-6 Molecular Formula: C16H12O6 Molecular Weight (g/mol): 300.26 MDL Number: MFCD00143537 InChI Key: DDSFKIFGAPZBSR-UHFFFAOYSA-N Synonym: 2-2-acetoxybenzoyl oxy benzoic acid, acetylsalicylsalicylic acid, acesalum, acetylsalicylsalicyic acid, diplosal acetate, unii-vbe72mcp5l, 2-carboxyphenyl 2-acetyloxy benzoate, diplosalsalate, ccris 1740, benzoic acid, 2-acetyloxy-, 2-carboxyphenyl ester PubChem CID: 10745 IUPAC Name: 2-(2-acetyloxybenzoyl)oxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O

Cinnamyl alcohol, 98% trans, ACROS Organics™

CAS: 104-54-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: cinnamyl alcohol, cinnamic alcohol, 3-phenyl-2-propen-1-ol, 3-phenylprop-2-en-1-ol, zimtalcohol, styryl carbinol, e-3-phenylprop-2-en-1-ol, 3-phenylallyl alcohol, trans-cinnamyl alcohol, styryl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO

Quercetin dihydrate, 99.85%, For HPLC analysis, MP Biomedicals™

CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.268 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate, 2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate, quercetine dihydrate, quercetin, dihydrate, ccris 3304, 3,3',4',5,7-pentahydroxyflavone dihydrate, quercetin dihydrate sophoretin, flavone, 3,3',4',5,7-pentahydroxy-, dihydrate, dsstox_cid_1219, 2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O

Alfa Aesar™ (+/-)-3-Phenyllactic acid, 98+%

CAS: 828-01-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00065928 InChI Key: VOXXWSYKYCBWHO-UHFFFAOYSA-N Synonym: dl-3-phenyllactic acid, 3-phenyllactic acid, dl-beta-phenyllactic acid, b-phenyllactic acid, 2-hydroxy-3-phenyl-propionic acid, 3-phenyllactate, 2-hydroxy-3-phenylpropionic acid, +--3-phenyllactic acid, dl-phenyllactic acid, beta-phenyllactic acid PubChem CID: 3848 ChEBI: CHEBI:25998 IUPAC Name: 2-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

3-Cyanocoumarin, 97%, ACROS Organics™

CAS: 15119-34-3 Molecular Formula: C10H5NO2 Molecular Weight (g/mol): 171.15 InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N Synonym: 3-cyanocoumarin, 2-oxo-2h-chromene-3-carbonitrile, coumarin-3-carbonitrile, 2h-1-benzopyran-3-carbonitrile, 2-oxo, 2-oxo-2h-1-benzopyran-3-carbonitrile, coumarin, 3-cyano-7ci,8ci, 3-cyano-coumarin, pubchem8675, acmc-1cfdq PubChem CID: 203763 IUPAC Name: 2-oxochromene-3-carbonitrile SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C#N

Alfa Aesar™ Coniferyl alcohol, 98%

CAS: 458-35-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002922 InChI Key: JMFRWRFFLBVWSI-NSCUHMNNSA-N Synonym: coniferyl alcohol, coniferol, coniferylalcohol, 4-3-hydroxyprop-1-en-1-yl-2-methoxyphenol, gamma-hydroxyisoeugenol, trans-coniferyl alcohol, e-coniferyl alcohol, 4-3-hydroxy-1-propenyl-2-methoxyphenol, 3-4-hydroxy-3-methoxyphenyl-2-propen-1-ol, 4-1e-3-hydroxyprop-1-en-1-yl-2-methoxyphenol PubChem CID: 1549095 ChEBI: CHEBI:17745 IUPAC Name: 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol SMILES: COC1=C(C=CC(=C1)C=CCO)O

Ibuprofen, 99%, ACROS Organics™

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.27 InChI Key: HEFNNWSXXWATRW-UHFFFAOYSA-N Synonym: ibuprofen, 2-4-isobutylphenyl propanoic acid, motrin, brufen, nurofen, advil, dolgit, liptan, nuprin, anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Alfa Aesar™ 2-Bromo-4,5-dimethoxycinnamic acid, 97%

CAS: 151539-52-5 Molecular Formula: C11H11BrO4 Molecular Weight (g/mol): 287.109 MDL Number: MFCD00017614 InChI Key: MSJCWIFRXCLULX-ONEGZZNKSA-N Synonym: 2-bromo-4,5-dimethoxycinnamic acid, 6-bromo-3,4-dimethoxycinnamic acid, 2e-3-2-bromo-4,5-dimethoxyphenyl prop-2-enoic acid, e-3-2-bromo-4,5-dimethoxyphenyl acrylic acid, 3-2-bromo-4,5-dimethoxyphenyl acrylic acid, 2-propenoic acid, 3-2-bromo-4,5-dimethoxyphenyl, e-3-2-bromo-4,5-dimethoxyphenyl prop-2-enoic acid, 2e-3-2-bromo-4,5-dimethoxyphenyl-2-propenoic acid PubChem CID: 735828 IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C(=C1)C=CC(=O)O)Br)OC

Alfa Aesar™ 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 97%

CAS: 1135-23-5 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00016558 InChI Key: BOLQJTPHPSDZHR-UHFFFAOYSA-N Synonym: 3-4-hydroxy-3-methoxyphenyl propanoic acid, 3-4-hydroxy-3-methoxyphenyl propionic acid, dihydroferulic acid, hydroferulic acid, dihydroconiferylic acid, unii-o01rnc700m, benzenepropanoic acid, 4-hydroxy-3-methoxy, 3-4-hydroxymethyl propionic acid, .beta.-4-hydroxy-3-methoxyphenyl propionic acid, 3-4-hydroxy-3-methoxy-phenyl propanoic acid PubChem CID: 14340 ChEBI: CHEBI:86612 IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)propanoic acid SMILES: COC1=C(C=CC(=C1)CCC(=O)O)O

Alfa Aesar™ (R)-3-(Boc-amino)-3-(2-bromophenyl)propionic acid, 98%

CAS: 500789-07-1 Molecular Formula: C14H18BrNO4 Molecular Weight (g/mol): 344.205 MDL Number: MFCD03427961 InChI Key: JLEZYQLFLYPMMA-LLVKDONJSA-N Synonym: r-3-2-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid, boc-r-3-amino-3-2-bromophenyl propionic acid, r-3-boc-amino-3-2-bromophenyl propionic acid, boc-s-3-amino-3-2-bromophenyl-propionic acid, 3r-3-2-bromophenyl-3-tert-butoxycarbonyl amino propanoic acid, boc-d-b-phe 2-br-oh, boc-d-?-phe 2-br-oh, boc-d-beta-phe 2-br-oh, boc-phg 2-br-c*ch2 oh, boc-r-2-bromo-beta-phe-oh PubChem CID: 2761725 IUPAC Name: (3R)-3-(2-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1Br

Alfa Aesar™ 3-Fluoro-5-(trifluoromethoxy)cinnamic acid, 97%

CAS: 1353001-72-5 Molecular Formula: C10H6F4O3 Molecular Weight (g/mol): 250.149 MDL Number: MFCD18783231 InChI Key: KCORPQZTOLVNPS-OWOJBTEDSA-N Synonym: 3-fluoro-5-trifluoromethoxy cinnamic acid, 2e-3-3-fluoro-5-trifluoromethoxy phenyl prop-2-enoic acid, 3-3-fluoro-5-trifluoromethoxy phenyl acrylic acid PubChem CID: 66523562 IUPAC Name: (E)-3-[3-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enoic acid SMILES: C1=C(C=C(C=C1OC(F)(F)F)F)C=CC(=O)O

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