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.

1 – 15 of 126 results

Thermo Scientific Acros Paraffin, liquid, pure

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 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: *

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Specifications

PubChem CID	68245
CAS	8012-95-1
Molecular Weight (g/mol)	0.00
ChEBI	CHEBI:38701
MDL Number	MFCD00131611
SMILES	*
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
IUPAC Name	2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key	FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula	MFCD00131611

Thermo Scientific Acros 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 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

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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

Thermo Scientific Acros Dibenzoylmethane, 98%

CAS: 120-46-7 Molecular Formula: C₁₅H₁₂O₂ Molecular Weight (g/mol): 224.26 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

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Specifications

PubChem CID	8433
CAS	120-46-7
Molecular Weight (g/mol)	224.26
ChEBI	CHEBI:75417
MDL Number	MFCD00003085
SMILES	C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
Synonym	dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc
IUPAC Name	1,3-diphenylpropane-1,3-dione
InChI Key	NZZIMKJIVMHWJC-UHFFFAOYSA-N
Molecular Formula	C₁₅H₁₂O₂

Thermo Scientific Chemicals 4-Epioxytetracycline, 'can be used as secondary standard'

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Thermo Scientific Acros Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

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Specifications

CAS	15687-27-1
Molecular Weight (g/mol)	206.29
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

Thermo Scientific Acros Chalcone, 97%

CAS: 94-41-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00003082 InChI Key: DQFBYFPFKXHELB-VAWYXSNFSA-N Synonym: chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone PubChem CID: 637760 ChEBI: CHEBI:48965 SMILES: O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	637760
CAS	94-41-7
Molecular Weight (g/mol)	208.26
ChEBI	CHEBI:48965
MDL Number	MFCD00003082
SMILES	O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
Synonym	chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone
InChI Key	DQFBYFPFKXHELB-VAWYXSNFSA-N
Molecular Formula	C15H12O

Thermo Scientific Acros 2,2-Dimethoxy-2-phenylacetophenone, 99%

CAS: 24650-42-8 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.30 MDL Number: MFCD00008475 InChI Key: KWVGIHKZDCUPEU-UHFFFAOYSA-N Synonym: 2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621 PubChem CID: 90571 IUPAC Name: 2,2-dimethoxy-1,2-diphenylethanone SMILES: COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	90571
CAS	24650-42-8
Molecular Weight (g/mol)	256.30
MDL Number	MFCD00008475
SMILES	COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621
IUPAC Name	2,2-dimethoxy-1,2-diphenylethanone
InChI Key	KWVGIHKZDCUPEU-UHFFFAOYSA-N
Molecular Formula	C16H16O3

Thermo Scientific Acros Hydrocinnamic acid, 99%

CAS: 501-52-0 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

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Specifications

PubChem CID	107
CAS	501-52-0
Molecular Weight (g/mol)	150.18
ChEBI	CHEBI:28631
MDL Number	MFCD00002771
SMILES	C1=CC=C(C=C1)CCC(=O)O
Synonym	hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name	3-phenylpropanoic acid
InChI Key	XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

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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Specifications

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 Acros 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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Specifications

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

Thermo Scientific Chemicals 7-Hydroxy-4-methylcoumarin, 97%

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=CC(O)=CC=C12

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Specifications

PubChem CID	5280567
CAS	90-33-5
Molecular Weight (g/mol)	176.17
ChEBI	CHEBI:17224
MDL Number	MFCD00006866
SMILES	CC1=CC(=O)OC2=CC(O)=CC=C12
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
IUPAC Name	7-hydroxy-4-methylchromen-2-one
InChI Key	HSHNITRMYYLLCV-UHFFFAOYSA-N
Molecular Formula	C10H8O3

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

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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

Thermo Scientific Acros 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

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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

Thermo Scientific Acros trans-Cinnamaldehyde, 99%

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007000 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 SMILES: O=C\C=C\C1=CC=CC=C1

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Specifications

PubChem CID	637511
CAS	14371-10-9
Molecular Weight (g/mol)	132.16
ChEBI	CHEBI:16731
MDL Number	MFCD00007000
SMILES	O=C\C=C\C1=CC=CC=C1
Synonym	cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
InChI Key	KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Molecular Formula	C9H8O

Phenylpropanoids and polyketides

Phenylpropanoids and polyketides

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