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Phenylpropanoids and polyketides

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.
Cinnamic acids and derivatives (8)
Anthracyclines (4)
Coumarins and derivatives (3)
Flavonoids (3)
Tetracyclines (3)
Dihydrocoumarins (1)

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1 – 10 of 10 results
1

(+)-Rutin trihydrate, 95%, Thermo Scientific Chemicals

CAS: 250249-75-3 Molecular Formula: C27H36O19 Molecular Weight (g/mol): 664.566 MDL Number: MFCD00149490 InChI Key: NLLBWFFSGHKUSY-JPRRWYCFSA-N Synonym: rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard PubChem CID: 16218542 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O

PubChem CID 16218542
CAS 250249-75-3
Molecular Weight (g/mol) 664.566
MDL Number MFCD00149490
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O
Synonym rutoside trihydrate,+-rutin trihydrate,rutin trihydrate,rutin hydrate,unii-rf4n03853g,2-3,4-dihydroxyphenyl-5,7-dihydroxy-3-2s,3r,4s,5s,6r-3,4,5-trihydroxy-6-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy-4h-chromen-4-one trihydrate,rutoside trihydrate ep,rutin hydrate jan,rutin trihydrate hplc,rutin trihydrate, analytical standard
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate
InChI Key NLLBWFFSGHKUSY-JPRRWYCFSA-N
Molecular Formula C27H36O19
2

4-Bromomethyl-6,7-dimethoxycoumarin, 95%, Thermo Scientific Chemicals

CAS: 88404-25-5 Molecular Formula: C12H11BrO4 Molecular Weight (g/mol): 299.12 MDL Number: MFCD00011570 InChI Key: JGODLBJJCNQFII-UHFFFAOYSA-N Synonym: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran PubChem CID: 128870 IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC

PubChem CID 128870
CAS 88404-25-5
Molecular Weight (g/mol) 299.12
MDL Number MFCD00011570
SMILES COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Synonym 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran
IUPAC Name 4-(bromomethyl)-6,7-dimethoxychromen-2-one
InChI Key JGODLBJJCNQFII-UHFFFAOYSA-N
Molecular Formula C12H11BrO4
3

Isobutylmagnesium chloride, 2M solution in diethyl ether, AcroSeal™, Thermo Scientific Chemicals

CAS: 5674-02-2 Molecular Weight (g/mol): 116.87 MDL Number: MFCD00000471 ChEBI: CHEBI:75272

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CAS 5674-02-2
Molecular Weight (g/mol) 116.87
ChEBI CHEBI:75272
MDL Number MFCD00000471
4

4-Epianhydrochlortetracycline hydrochloride, can be used as secondary standard, Thermo Scientific Chemicals

CAS: 158018-53-2 Molecular Formula: C22H21ClN2O7·HCl Molecular Weight (g/mol): 497.33 MDL Number: MFCD00143313 InChI Key: ISGAAFMBTIWTEU-PXAZKYFKSA-N Synonym: 4-epianhydrochlortetracycline hydrochloride,4-epianhydrochlortetracycline hcl,epianhydrochlortetracycline hydrochloride,2z,4r,4as,12as-2-amino hydroxy methylidene-7-chloro-4-dimethylamino-10,11,12a-trihydroxy-6-methyl-4a,5-dihydro-4h-tetracene-1,3,12-trione hydrochloride,4r,4as,12ar-7-chloro-4-dimethylamino-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide-hydrogen chloride 1/1,4r,4as,12as-7-chloro-4-dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4h-tetracene-2-carboxamide hydrochloride,4r-4,a,4a,a,12a,a-7-chloro-4-dimethylamino-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide monohydrochloride PubChem CID: 54710413 IUPAC Name: (4R,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride SMILES: CC1=C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C14)Cl)O)O)O)O)C(=O)N)N(C)C.Cl

PubChem CID 54710413
CAS 158018-53-2
Molecular Weight (g/mol) 497.33
MDL Number MFCD00143313
SMILES CC1=C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C14)Cl)O)O)O)O)C(=O)N)N(C)C.Cl
Synonym 4-epianhydrochlortetracycline hydrochloride,4-epianhydrochlortetracycline hcl,epianhydrochlortetracycline hydrochloride,2z,4r,4as,12as-2-amino hydroxy methylidene-7-chloro-4-dimethylamino-10,11,12a-trihydroxy-6-methyl-4a,5-dihydro-4h-tetracene-1,3,12-trione hydrochloride,4r,4as,12ar-7-chloro-4-dimethylamino-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide-hydrogen chloride 1/1,4r,4as,12as-7-chloro-4-dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4h-tetracene-2-carboxamide hydrochloride,4r-4,a,4a,a,12a,a-7-chloro-4-dimethylamino-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide monohydrochloride
IUPAC Name (4R,4aS,12aR)-7-chloro-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
InChI Key ISGAAFMBTIWTEU-PXAZKYFKSA-N
Molecular Formula C22H21ClN2O7·HCl
6

PD 150606, Tocris Bioscience™

CAS: 179528-45-1 Molecular Formula: C9H7IO2S Molecular Weight (g/mol): 306.117 InChI Key: DJCVSFWGKYHMKH-YVMONPNESA-N Synonym: 3-4-iodophenyl-2-mercapto-z-2-propenoic acid,2z-3-4-iodophenyl-2-sulfanylprop-2-enoic acid,4'-iodo-2-mercaptocinnamic acid,z-3-4-iodophenyl-2-mercaptoacrylic acid,pd hplc,z-3-4-iodophenyl-2-mercapto-2-propenoic acid,2z-3-4-iodophenyl-2-mercapto-2-propenoic acid,z-3-4-iodophenyl-2-sulfanyl-prop-2-enoic acid PubChem CID: 9839500 IUPAC Name: (Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid SMILES: C1=CC(=CC=C1C=C(C(=O)O)S)I

PubChem CID 9839500
CAS 179528-45-1
Molecular Weight (g/mol) 306.117
SMILES C1=CC(=CC=C1C=C(C(=O)O)S)I
Synonym 3-4-iodophenyl-2-mercapto-z-2-propenoic acid,2z-3-4-iodophenyl-2-sulfanylprop-2-enoic acid,4'-iodo-2-mercaptocinnamic acid,z-3-4-iodophenyl-2-mercaptoacrylic acid,pd hplc,z-3-4-iodophenyl-2-mercapto-2-propenoic acid,2z-3-4-iodophenyl-2-mercapto-2-propenoic acid,z-3-4-iodophenyl-2-sulfanyl-prop-2-enoic acid
IUPAC Name (Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid
InChI Key DJCVSFWGKYHMKH-YVMONPNESA-N
Molecular Formula C9H7IO2S
7

SB 366791, Tocris Bioscience™

CAS: 472981-92-3 Molecular Formula: C16H14ClNO2 Molecular Weight (g/mol): 287.743 InChI Key: RYAMDQKWNKKFHD-JXMROGBWSA-N Synonym: 2e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,n-3-methoxyphenyl-4-chlorocinnamide,n-3-methoxyphenyl-4-chlorocinnamanilide,e-3-4-chlorophenyl-n-3-methoxyphenyl acrylamide,ftalidap 27,3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,2-propenamide, 3-4-chlorophenyl-n-3-methoxyphenyl,sb hplc , powder,e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide PubChem CID: 667594 IUPAC Name: (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide SMILES: COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl

PubChem CID 667594
CAS 472981-92-3
Molecular Weight (g/mol) 287.743
SMILES COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl
Synonym 2e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,n-3-methoxyphenyl-4-chlorocinnamide,n-3-methoxyphenyl-4-chlorocinnamanilide,e-3-4-chlorophenyl-n-3-methoxyphenyl acrylamide,ftalidap 27,3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,2-propenamide, 3-4-chlorophenyl-n-3-methoxyphenyl,sb hplc , powder,e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide
IUPAC Name (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
InChI Key RYAMDQKWNKKFHD-JXMROGBWSA-N
Molecular Formula C16H14ClNO2
8

AMG 9810, Tocris Bioscience™

CAS: 545395-94-6 Molecular Formula: C21H23NO3 Molecular Weight (g/mol): 337.419 InChI Key: GZTFUVZVLYUPRG-IZZDOVSWSA-N Synonym: unii-182hij2d7f,2e-3-4-tert-butylphenyl-n-2,3-dihydro-1,4-benzodioxin-6-yl prop-2-enamide,2e-n-2,3-dihydro-1,4-benzodioxin-6-yl-3-4-1,1-dimethylethyl phenyl-2-propenamide,trans-cinnamide,d0xo2g,e-3-4-t-butylphenyl-n-2,3-dihydrobenzo b 1,4 dioxin-6-yl acrylamide,3-4-t-butylphenyl-n-2,3-dihydrobenzo b 1,4 dioxin-6-yl acrylamide,amg hplc , powder,e-3-4-tert-butylphenyl-n-2,3-dihydro-1,4-benzodioxin-6-yl prop-2-enamide PubChem CID: 680502 IUPAC Name: (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide SMILES: CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3

PubChem CID 680502
CAS 545395-94-6
Molecular Weight (g/mol) 337.419
SMILES CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3
Synonym unii-182hij2d7f,2e-3-4-tert-butylphenyl-n-2,3-dihydro-1,4-benzodioxin-6-yl prop-2-enamide,2e-n-2,3-dihydro-1,4-benzodioxin-6-yl-3-4-1,1-dimethylethyl phenyl-2-propenamide,trans-cinnamide,d0xo2g,e-3-4-t-butylphenyl-n-2,3-dihydrobenzo b 1,4 dioxin-6-yl acrylamide,3-4-t-butylphenyl-n-2,3-dihydrobenzo b 1,4 dioxin-6-yl acrylamide,amg hplc , powder,e-3-4-tert-butylphenyl-n-2,3-dihydro-1,4-benzodioxin-6-yl prop-2-enamide
IUPAC Name (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
InChI Key GZTFUVZVLYUPRG-IZZDOVSWSA-N
Molecular Formula C21H23NO3
9

XCT 790, Tocris Bioscience™

CAS: 725247-18-7 Molecular Formula: C23H13F9N4O3S Molecular Weight (g/mol): 596.428 InChI Key: HQFNFOOGGLSBBT-AWNIVKPZSA-N Synonym: 3-4-2,4-bis-trifluoromethylbenzyloxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl acrylamide,d0zb7z,xct hplc , solid,2e-3-4-2,4-bis trifluoromethyl phenyl methoxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl prop-2-enamide,e-3-4-2,4-bis trifluoromethyl benzyl oxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl acrylamide,e-3-4-2, 4-bis trifluoromethyl phenyl methoxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl prop-2-enamide,e-3-4-2,4-bis trifluoromethyl phenyl methoxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl prop-2-enamide,3-4-2,4-bis trifluoromethyl phenyl methoxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl prop-2-enamide,3-4-2,4-bis-trifluoromethyl-benzyloxy-3-methoxy-phenyl-2-cyano-n-5-trifluoromethyl-1,3,4 thiadiazol-2-yl-acrylamide PubChem CID: 6918788 ChEBI: CHEBI:79999 IUPAC Name: (E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide SMILES: COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

PubChem CID 6918788
CAS 725247-18-7
Molecular Weight (g/mol) 596.428
ChEBI CHEBI:79999
SMILES COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F
Synonym 3-4-2,4-bis-trifluoromethylbenzyloxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl acrylamide,d0zb7z,xct hplc , solid,2e-3-4-2,4-bis trifluoromethyl phenyl methoxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl prop-2-enamide,e-3-4-2,4-bis trifluoromethyl benzyl oxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl acrylamide,e-3-4-2, 4-bis trifluoromethyl phenyl methoxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl prop-2-enamide,e-3-4-2,4-bis trifluoromethyl phenyl methoxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl prop-2-enamide,3-4-2,4-bis trifluoromethyl phenyl methoxy-3-methoxyphenyl-2-cyano-n-5-trifluoromethyl-1,3,4-thiadiazol-2-yl prop-2-enamide,3-4-2,4-bis-trifluoromethyl-benzyloxy-3-methoxy-phenyl-2-cyano-n-5-trifluoromethyl-1,3,4 thiadiazol-2-yl-acrylamide
IUPAC Name (E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
InChI Key HQFNFOOGGLSBBT-AWNIVKPZSA-N
Molecular Formula C23H13F9N4O3S
10

Doxorubicin Hydrochloride, Fisher BioReagents

CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.98 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: (7R,9R)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride 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

PubChem CID 129626538
CAS 25316-40-9
Molecular Weight (g/mol) 579.98
MDL Number MFCD00077757,MFCD00077757,MFCD00941448
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
Synonym doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs
IUPAC Name (7R,9R)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
InChI Key MWWSFMDVAYGXBV-FGBJBKNOSA-N
Molecular Formula C27H30ClNO11