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.

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Boiling Point	530°C (760 mmHg)
Molecular Weight (g/mol)	256.26
Color	Beige to White
Physical Form	Crystals or Powder
Chemical Name or Material	Liquiritigenin
CAS	578-86-9
Infrared Spectrum	Conforms
MDL Number	00287289
Packaging	Glass bottle
Health Hazard 1	Exclamation mark
Alpha Vector	LIQUIRITIGENIN
Synonym	4 ',7-Dihydroxyflavanone
Recommended Storage	Refrigerator +4°C
Shelf Life	3 years
Molecular Formula	C15 H12 O4

Thermo Scientific Chemicals Fisetin

CAS: 528-48-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one SMILES: OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

Pricing and Availability
Specifications

CAS	528-48-3
Molecular Weight (g/mol)	286.24
SMILES	OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
IUPAC Name	2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one
InChI Key	XHEFDIBZLJXQHF-UHFFFAOYSA-N
Molecular Formula	C15H10O6

Thermo Scientific Chemicals Acacetin

CAS: 480-44-4 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 InChI Key: DANYIYRPLHHOCZ-UHFFFAOYSA-N IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1

Pricing and Availability
Specifications

CAS	480-44-4
Molecular Weight (g/mol)	284.27
SMILES	COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
IUPAC Name	5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
InChI Key	DANYIYRPLHHOCZ-UHFFFAOYSA-N
Molecular Formula	C16H12O5

Thermo Scientific Chemicals Tebuconazole

CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.82 MDL Number: MFCD02674797 InChI Key: PXMNMQRDXWABCY-UHFFFAOYNA-N IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol SMILES: CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1

Pricing and Availability
Specifications

CAS	107534-96-3
Molecular Weight (g/mol)	307.82
MDL Number	MFCD02674797
SMILES	CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
IUPAC Name	1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol
InChI Key	PXMNMQRDXWABCY-UHFFFAOYNA-N
Molecular Formula	C16H22ClN3O

Thermo Scientific Chemicals Repaglinide

CAS: 135062-02-1 Molecular Formula: C27H36N2O4 Molecular Weight (g/mol): 452.60 MDL Number: MFCD00906179 InChI Key: FAEKWTJYAYMJKF-QHCPKHFHSA-N IUPAC Name: 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid SMILES: CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O

Pricing and Availability
Specifications

CAS	135062-02-1
Molecular Weight (g/mol)	452.60
MDL Number	MFCD00906179
SMILES	CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O
IUPAC Name	2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid
InChI Key	FAEKWTJYAYMJKF-QHCPKHFHSA-N
Molecular Formula	C27H36N2O4

Phenyl salicylate, 99%

CAS: 118-55-8 Molecular Formula: C₁₃H₁₀O₃ Molecular Weight (g/mol): 214.22 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

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Specifications

PubChem CID	8361
CAS	118-55-8
Molecular Weight (g/mol)	214.22
ChEBI	CHEBI:34918
SMILES	C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym	phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name	phenyl 2-hydroxybenzoate
InChI Key	ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₀O₃

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Paraffin, pure, wax, granular

CAS: 8002-74-2 Molecular Formula: CnH₂n+₂ Molecular Weight (g/mol): 341.451 MDL Number: MFCD00132833 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn PubChem CID: 4932 ChEBI: CHEBI:63619 IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

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Specifications

PubChem CID	4932
CAS	8002-74-2
Molecular Weight (g/mol)	341.451
ChEBI	CHEBI:63619
MDL Number	MFCD00132833
SMILES	CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
Synonym	propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn
IUPAC Name	1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one
InChI Key	JWHAUXFOSRPERK-UHFFFAOYSA-N
Molecular Formula	CnH₂n+₂

Thermo Scientific Chemicals 4-Dimethylaminocinnamaldehyde, 98%

CAS: 6203-18-5 Molecular Formula: C₁₁H₁₃NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O

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PubChem CID	5284506
CAS	6203-18-5
Molecular Weight (g/mol)	175.23
MDL Number	MFCD00007002
SMILES	CN(C)C1=CC=C(C=C1)C=CC=O
Synonym	4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent
IUPAC Name	(E)-3-[4-(dimethylamino)phenyl]prop-2-enal
InChI Key	RUKJCCIJLIMGEP-ONEGZZNKSA-N
Molecular Formula	C₁₁H₁₃NO

Thermo Scientific Chemicals Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 96%

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

Pricing and Availability
Specifications

PubChem CID	969516
CAS	458-37-7
Molecular Weight (g/mol)	368.39
ChEBI	CHEBI:3962
MDL Number	MFCD00008365
SMILES	COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym	curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
InChI Key	ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula	C21H20O6

4-Bromomethyl-6,7-dimethoxycoumarin, 95%

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

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Specifications

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

7-Methoxycoumarin-4-acetic acid

CAS: 62935-72-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00009774 InChI Key: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonym: 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh PubChem CID: 342221 ChEBI: CHEBI:51666 IUPAC Name: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1

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Specifications

PubChem CID	342221
CAS	62935-72-2
Molecular Weight (g/mol)	234.21
ChEBI	CHEBI:51666
MDL Number	MFCD00009774
SMILES	COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1
Synonym	7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh
IUPAC Name	2-(7-methoxy-2-oxochromen-4-yl)acetic acid
InChI Key	ZEKAXIFHLIITGV-UHFFFAOYSA-N
Molecular Formula	C12H10O5

Genistein, 99%, synthetic

CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

Pricing and Availability
Specifications

PubChem CID	5280961
CAS	446-72-0
Molecular Weight (g/mol)	270.24
ChEBI	CHEBI:28088
MDL Number	MFCD00016952
SMILES	OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym	genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein
IUPAC Name	5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key	TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula	C15H10O5

Thermo Scientific Chemicals 7-Diethylamino-4-methylcoumarin, 99%

CAS: 91-44-1 Molecular Formula: C₁₄H₁₇NO₂ Molecular Weight (g/mol): 231.29 MDL Number: MFCD00006864 InChI Key: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonym: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p PubChem CID: 7050 ChEBI: CHEBI:51938 IUPAC Name: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C

Pricing and Availability
Specifications

PubChem CID	7050
CAS	91-44-1
Molecular Weight (g/mol)	231.29
ChEBI	CHEBI:51938
MDL Number	MFCD00006864
SMILES	CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
Synonym	7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p
IUPAC Name	7-(diethylamino)-4-methylchromen-2-one
InChI Key	AFYCEAFSNDLKSX-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₇NO₂

3,4,9,10-Perylenetetracarboxylic dianhydride, 98%

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 IUPAC Name: 7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone SMILES: O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56

Pricing and Availability
Specifications

PubChem CID	67191
CAS	128-69-8
Molecular Weight (g/mol)	392.32
MDL Number	MFCD00006916
SMILES	O=C1OC(=O)C2=CC=C3C4=CC=C5C(=O)OC(=O)C6=CC=C(C7=CC=C1C2=C37)C4=C56
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
IUPAC Name	7,18-dioxaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
InChI Key	CLYVDMAATCIVBF-UHFFFAOYSA-N
Molecular Formula	C24H8O6

Cinnamyl alcohol, 98% trans

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

Pricing and Availability
Specifications

PubChem CID	5315892
CAS	104-54-1
Molecular Weight (g/mol)	134.18
ChEBI	CHEBI:33227
MDL Number	MFCD00002921
SMILES	C1=CC=C(C=C1)C=CCO
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
IUPAC Name	(E)-3-phenylprop-2-en-1-ol
InChI Key	OOCCDEMITAIZTP-QPJJXVBHSA-N
Molecular Formula	C₉H₁₀O

Phenylpropanoids and polyketides

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