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 622 results

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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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

Fisher Chemical Paraffin Liquid, Technical, d=0.88, for Oil Baths, Fisher Chemical™

CAS: 8042-47-5 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	8042-47-5
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 Chemicals Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 96%, Thermo Scientific Chemicals

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

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Thermo Scientific Acros Paraffin, liquid, pure, Thermo Scientific Chemicals

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

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Thermo Scientific Acros Paraffin, pure, wax, granular, Thermo Scientific Chemicals

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-Epioxytetracycline, 'can be used as secondary standard'

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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 trans-Cinnamaldehyde, 99%, Thermo Scientific Chemicals

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

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 Alfa Aesar Curcumin, 95% (total curcuminoid content), from Turmeric rhizome, Thermo Scientific Chemicals

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 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione 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
IUPAC Name	(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
InChI Key	ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula	C21H20O6

Thermo Scientific Acros 4-Hydroxy-3-methoxycinnamic acid, 99%, Thermo Scientific Chemicals

CAS: 1135-24-6 Molecular Formula: C₁₀H₁₀O₄ Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

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Specifications

PubChem CID	445858
CAS	1135-24-6
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:17620
MDL Number	MFCD00004400
SMILES	COC1=C(C=CC(=C1)C=CC(=O)O)O
Synonym	ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl
IUPAC Name	(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
InChI Key	KSEBMYQBYZTDHS-HWKANZROSA-N
Molecular Formula	C₁₀H₁₀O₄

Thermo Scientific Acros Rutin Hydrate, 97+%, Thermo Scientific Chemicals

CAS: 207671-50-9 Molecular Formula: C27H30O16 Molecular Weight (g/mol): 610.52 MDL Number: MFCD01319140 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonym: rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid PubChem CID: 5280805 ChEBI: CHEBI:28527 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 SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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Specifications

PubChem CID	5280805
CAS	207671-50-9
Molecular Weight (g/mol)	610.52
ChEBI	CHEBI:28527
MDL Number	MFCD01319140
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Synonym	rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid
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
InChI Key	IKGXIBQEEMLURG-NVPNHPEKSA-N
Molecular Formula	C27H30O16

Thermo Scientific Alfa Aesar Dihydrocoumarin, 99%, Thermo Scientific Chemicals

CAS: 119-84-6 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00006881 InChI Key: VMUXSMXIQBNMGZ-UHFFFAOYSA-N Synonym: dihydrocoumarin,3,4-dihydrocoumarin,hydrocoumarin,chroman-2-one,benzodihydropyrone,melilotin,melilotol,2-chromanone,1,2-benzodihydropyrone,melilotic lactone PubChem CID: 660 ChEBI: CHEBI:16151 IUPAC Name: 3,4-dihydrochromen-2-one SMILES: C1CC(=O)OC2=CC=CC=C21

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Specifications

PubChem CID	660
CAS	119-84-6
Molecular Weight (g/mol)	148.161
ChEBI	CHEBI:16151
MDL Number	MFCD00006881
SMILES	C1CC(=O)OC2=CC=CC=C21
Synonym	dihydrocoumarin,3,4-dihydrocoumarin,hydrocoumarin,chroman-2-one,benzodihydropyrone,melilotin,melilotol,2-chromanone,1,2-benzodihydropyrone,melilotic lactone
IUPAC Name	3,4-dihydrochromen-2-one
InChI Key	VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Molecular Formula	C9H8O2

Thermo Scientific Alfa Aesar Benzoin, 99%, Thermo Scientific Chemicals

CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethanone SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	8400
CAS	119-53-9
Molecular Weight (g/mol)	212.25
ChEBI	CHEBI:17682
MDL Number	MFCD00004496
SMILES	OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym	benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone
IUPAC Name	2-hydroxy-1,2-diphenylethanone
InChI Key	ISAOCJYIOMOJEB-UHFFFAOYNA-N
Molecular Formula	C14H12O2

Thermo Scientific Alfa Aesar 4-Methylumbelliferone, 97%, Thermo Scientific Chemicals

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

Phenylpropanoids and polyketides

Phenylpropanoids and polyketides

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