Phenylpropanoids and polyketides
MP Biomedicals, Inc 5,7-Dihydroxy-4'-methoxyflavone, MP Biomedicals
CAS: 480-44-4 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.267 InChI Key: DANYIYRPLHHOCZ-UHFFFAOYSA-N Synonym: acacetin,linarigenin,5,7-dihydroxy-4'-methoxyflavone,acacetine,4'-methoxyapigenin,buddleoflavonol,linarisenin,akatsetin,apigenin 4'-methyl ether,5,7-dihydroxy-2-4-methoxyphenyl-4h-chromen-4-one PubChem CID: 5280442 ChEBI: CHEBI:15335 IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
5-Bromo-4-chloroindoxyl 1,3-diacetate, 99%, Thermo Scientific™
CAS: 3034-04-6 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.29 MDL Number: MFCD00040632 InChI Key: YURQMHCZHLMHIB-UHFFFAOYNA-N Synonym: 6-methoxyflavanone,6-methoxy-2-phenylchroman-4-one,6-methoxy-2-phenyl-chroman-4-one,6-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one,flavanone, 6-methoxy,acmc-1adv8,6-methoxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,6-methoxy-2-phenyl-2,3-dihydro-4h-chromen-4-one #,2,3-dihydro-6-methoxy-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-6-methoxy-2-phenyl PubChem CID: 97860 IUPAC Name: 6-methoxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: COC1=CC2=C(C=C1)OC(CC2=O)C3=CC=CC=C3
2-Nitrocinnamaldehyde, predominantly trans, 98%
CAS: 1466-88-2 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.159 MDL Number: MFCD00007188 InChI Key: VMSMELHEXDVEDE-HWKANZROSA-N Synonym: 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775 PubChem CID: 5367122 IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-]
7-Amino-4-(methoxymethyl)coumarin, 97%, Thermo Scientific™
CAS: 175205-10-4 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00068088 InChI Key: QZZLLHOMMCKWIQ-UHFFFAOYSA-N Synonym: 7-amino-4-methoxymethyl-2h-chromen-2-one,7-amino-4-methoxymethyl coumarin,7-amino-4-methoxymethyl chromen-2-one,2h-1-benzopyran-2-one,7-amino-4-methoxymethyl,maybridge1_007060,acmc-20a3l0,7-amino-4-methoxymethylcoumarin,7-azanyl-4-methoxymethyl chromen-2-one,7-amino-4-methoxymethyl-1-benzopyran-2-one PubChem CID: 519442 IUPAC Name: 7-amino-4-(methoxymethyl)chromen-2-one SMILES: COCC1=CC(=O)OC2=CC(N)=CC=C12
MP Biomedicals, Inc Phenyl Benzoate, MP Biomedicals
CAS: 93-99-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 InChI Key: FCJSHPDYVMKCHI-UHFFFAOYSA-N Synonym: benzoic acid phenyl ester,diphenylcarboxylate,benzoic acid, phenyl ester,benzoic acid phenyl,phenylbenzoate,unii-b8a3wvz590,phenol, benzoate,dsstox_cid_28185,dsstox_rid_82744,dsstox_gsid_48210 PubChem CID: 7169 ChEBI: CHEBI:86919 IUPAC Name: phenyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
2-Chlorocinnamic acid, predominantly trans, 99%, Thermo Scientific™
CAS: 3752-25-8 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.603 MDL Number: MFCD00004372 InChI Key: KJRRTHHNKJBVBO-AATRIKPKSA-N Synonym: 2-chlorocinnamic acid,o-chlorocinnamic acid,3-2-chlorophenyl acrylic acid,2e-3-2-chlorophenyl acrylic acid,e-3-2-chlorophenyl acrylic acid,cinnamic acid, o-chloro,2e-3-2-chlorophenyl prop-2-enoic acid,2-propenoic acid, 3-2-chlorophenyl,e-o-chlorocinnamic acid,3-2-chlorophenyl-2-propenoic acid PubChem CID: 700642 IUPAC Name: (E)-3-(2-chlorophenyl)prop-2-enoic acid SMILES: C1=CC=C(C(=C1)C=CC(=O)O)Cl
MP Biomedicals, Inc 2,4,4'-Trihydroxybenzalacetophenone, MP Biomedicals
CAS: 83616-07-3 Molecular Formula: C15H12O4 Molecular Weight (g/mol): 256.26 MDL Number: MFCD00049007 InChI Key: VDYSHUXENHRSOO-UHFFFAOYSA-N Synonym: 2,4,4'-trihydroxychalcone,3-2,4-dihydroxyphenyl-1-4-hydroxyphenyl prop-2-en-1-one,2,4,4'-trihydroxy benzalacetophenone,2-propen-1-one, 3-2,4-dihydroxyphenyl-1-4-hydroxyphenyl PubChem CID: 5057077 IUPAC Name: 3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one SMILES: OC1=CC=C(C=C1)C(=O)C=CC1=C(O)C=C(O)C=C1
Doxorubicin Hydrochloride, Thermo Scientific Chemicals PROMO
CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.98 g/mol MDL Number: MFCD00077757,MFCD00077757,MFCD00941448 InChI Key: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonym: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs PubChem CID: 129626538 IUPAC Name: hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride SMILES: [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O
2',4,4'-Trihydroxychalcone, 97%, Thermo Scientific™
CAS: 961-29-5 Molecular Formula: C15H12O4 Molecular Weight (g/mol): 256.257 MDL Number: MFCD00075907 InChI Key: DXDRHHKMWQZJHT-FPYGCLRLSA-N Synonym: isoliquiritigenin,2',4,4'-trihydroxychalcone,4,2',4'-trihydroxychalcone,6'-deoxychalcone,e-1-2,4-dihydroxyphenyl-3-4-hydroxyphenyl prop-2-en-1-one,2',4',4-trihydroxychalcone,isoliquirtigenin,unii-b9cti9gb8f,ccris 7676,chalcone, 2',4,4'-trihydroxy PubChem CID: 638278 ChEBI: CHEBI:310312 IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one SMILES: C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
(R)-3-(Boc-amino)-3-(3-hydroxyphenyl)propionic acid, 95%, Thermo Scientific™
CAS: 500788-89-6 Molecular Formula: C14H19NO5 Molecular Weight (g/mol): 281.308 MDL Number: MFCD03427940 InChI Key: KLIMLFKCLBBZKH-LLVKDONJSA-N Synonym: boc-r-3-amino-3-3-hydroxy-phenyl-propionic acid,r-3-boc-amino-3-3-hydroxyphenyl propionic acid,r-3-tert-butoxycarbonyl amino-3-3-hydroxyphenyl propanoic acid,3r-3-tert-butoxycarbonyl amino-3-3-hydroxyphenyl propanoic acid,benzenepropanoic acid, b-1,1-dimethylethoxy carbonyl amino-3-hydroxy-, br,pubchem24049,pubchem24051,boc-d-beta-m-tyr-oh,boc-d-?-phe 3-oh-oh,boc-d-beta-phe 3-oh-oh PubChem CID: 2761766 IUPAC Name: (3R)-3-(3-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)O
α-Cyano-βphenylacrylic Acid, MP Biomedicals
CAS: 1011-92-3 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 InChI Key: CDUQMGQIHYISOP-UHFFFAOYSA-N Synonym: 2-cyano-3-phenylacrylic acid,alpha-cyanocinnamicacid,cyanocinnamic acid,2-cyano-3-phenyl-2-propenoic acid,acmc-1b4v0,a-cyano-b-phenylacrylic acid,alpha-cyano-beta-phenyl-acrylic acid PubChem CID: 70534 IUPAC Name: 2-cyano-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=C(C#N)C(=O)O
L(-)-Epicatechin, Mixt. of ca 60% L(-)-Epicatechin and ca 40% Catechin, Thermo Scientific™
CAS: 490-46-0 Molecular Formula: C15H14O6 Molecular Weight (g/mol): 290.271 InChI Key: PFTAWBLQPZVEMU-UKRRQHHQSA-N Synonym: --epicatechin,epicatechin,l-epicatechin,--epicatechol,l-acacatechin,epicatechol,l-epicatechol,2r,3r-2-3,4-dihydroxyphenyl chroman-3,5,7-triol,-epicatechin,2r,3r---epicatechin PubChem CID: 72276 ChEBI: CHEBI:90 IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-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
MP Biomedicals, Inc Luteolin, MP Biomedicals
CAS: 491-70-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 InChI Key: IQPNAANSBPBGFQ-UHFFFAOYSA-N Synonym: luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide PubChem CID: 5280445 ChEBI: CHEBI:15864 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O