Phenylpropanoids and polyketides
Esculin Monohydrate, ≥97.5%, MP Biomedicals™
CAS: 531-75-9 Molecular Formula: C15H16O9 Molecular Weight (g/mol): 340.28 MDL Number: MFCD00149492 InChI Key: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonym: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 IUPAC Name: 7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
4-Acetamidocinnamic acid, predominantly trans, 98%
CAS: 1918352 MDL Number: MFCD00016846 ChEBI: CHEBI:16388
4,4'-Dimethoxychalcone, 99%
CAS: 2373-89-9 Molecular Formula: C17H16O3 Molecular Weight (g/mol): 268.31 MDL Number: MFCD00025815 InChI Key: HDXVSZWKIHQDES-LFYBBSHMSA-N Synonym: 4,4'-dimethoxychalcone,e-1,3-bis 4-methoxyphenyl prop-2-en-1-one,2e-1,3-bis 4-methoxyphenyl prop-2-en-1-one,1,3-bis 4-methoxyphenyl prop-2-en-1-one,4,4/'-dimethoxychalcone,2-propen-1-one, 1,3-bis 4-methoxyphenyl,e-4,4'-dimethoxychalcone,1,3-bis 4-methoxyphenyl-2-propen-1-one,e-1,3-bis 4-methoxyphenyl-2-propen-1-one,2e-1,3-bis 4-methoxyphenyl-2-propen-1-one PubChem CID: 5377817 IUPAC Name: (E)-1,3-bis(4-methoxyphenyl)prop-2-en-1-one SMILES: COC1=CC=C(\C=C\C(=O)C2=CC=C(OC)C=C2)C=C1
Daidzein, 98%
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
3,4-Dichlorocinnamic acid, 97%
CAS: 1202-39-7 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004385 InChI Key: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonym: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid PubChem CID: 688027 IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
Chlortetracycline hydrochloride
CAS: 64-72-2 Molecular Formula: C22H24Cl2N2O8 Molecular Weight (g/mol): 515.34 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
4-Hydroxy-6-methylcoumarin, 98+%
CAS: 13252-83-0 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00085738 InChI Key: CSVFZDYJGBVNEX-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4 PubChem CID: 54686349 IUPAC Name: 4-hydroxy-6-methylchromen-2-one SMILES: CC1=CC=C2OC(O)=CC(=O)C2=C1
Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™
CAS: 910037-11-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.263 MDL Number: MFCD09065010 InChI Key: LGHVUZDAZTZCHC-UHFFFAOYSA-N Synonym: pentafluorophenyl 3-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-1-methylpyrazol-3-yl benzoate,3-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229633 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
Coumarin-6-sulfonyl chloride, 97%
CAS: 10543-42-7 Molecular Formula: C9H5ClO4S Molecular Weight (g/mol): 244.65 MDL Number: MFCD01941320 InChI Key: HQIPMBGUDSOVEA-UHFFFAOYSA-N Synonym: 2-oxo-2h-chromene-6-sulfonyl chloride,coumarin-6-sulfonyl chloride,6-cs-cl,coumarin-6-sulphonyl chloride,2-oxo-2h-chromene-6-sulphonyl chloride,2-oxo-2h-1-benzopyran-6-sulfonyl chloride,6-chlorosulfonyl chromen-2-one,pubchem5506,c6scl,timtec-bb sbb002796 PubChem CID: 2735833 IUPAC Name: 2-oxochromene-6-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1
3',5,7-Trihydroxy-4'-methoxyflavanone, 97%
CAS: 520-33-2 Molecular Formula: C16H14O6 Molecular Weight (g/mol): 302.28 MDL Number: MFCD00075646 InChI Key: AIONOLUJZLIMTK-AWEZNQCLSA-N Synonym: hesperetin,hesperitin,3',5,7-trihydroxy-4'-methoxyflavanone,hesperin,yso2,cyanidanon 4'-methyl ether 1626,5,7,3'-trihydroxy-4'-methoxyflavanone,--hesperetin,prestwick_908,unii-q9q3d557f1 PubChem CID: 72281 ChEBI: CHEBI:28230 IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
5,7-Dihydroxyflavone, 98%
CAS: 480-40-0 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00006834 InChI Key: RTIXKCRFFJGDFG-UHFFFAOYSA-N Synonym: chrysin,5,7-dihydroxyflavone,chrysine,5,7-dihydroxy-2-phenyl-4h-chromen-4-one,crysin,4h-1-benzopyran-4-one, 5,7-dihydroxy-2-phenyl,unii-3cn01f5zj5,flavone, 5,7-dihydroxy,5,7-dihydroxy-2-phenyl-4h-1-benzopyran-4-one,chembl117 PubChem CID: 5281607 ChEBI: CHEBI:75095 IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
3-(5-Bromo-2-methoxyphenyl)propionic acid, 96%, Thermo Scientific Chemicals
CAS: 82547-30-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.10 MDL Number: MFCD09258907 InChI Key: RCLIOLQUIYTUPY-UHFFFAOYSA-N Synonym: 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid PubChem CID: 22685184 IUPAC Name: 3-(5-bromo-2-methoxyphenyl)propanoic acid SMILES: COC1=C(CCC(O)=O)C=C(Br)C=C1
Cinnamic Aldehyde, MP Biomedicals™
CAS: 104-55-2 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 IUPAC Name: (E)-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=CC=O
4-Methoxychalcone, 97%
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