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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Paraffin Oil Light, MilliporeSigma™

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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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

Disodium 4-Amino-4′-nitrostilbene-2,2′-sulfonate 80.0+%, TCI America™

CAS: 6634-82-8 Molecular Formula: C14H12N2NaO8S2+ Molecular Weight (g/mol): 423.366 MDL Number: MFCD00143251 InChI Key: DVSCXUQCFDWMOE-TYYBGVCCSA-N PubChem CID: 23669643 IUPAC Name: sodium;5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.[Na+]

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PubChem CID	23669643
CAS	6634-82-8
Molecular Weight (g/mol)	423.366
MDL Number	MFCD00143251
SMILES	C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O.[Na+]
IUPAC Name	sodium;5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI Key	DVSCXUQCFDWMOE-TYYBGVCCSA-N
Molecular Formula	C14H12N2NaO8S2+

8-Acetyl-7-hydroxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 2555-29-5 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00100602 InChI Key: WZOMQVFUPMLOGT-UHFFFAOYSA-N Synonym: 8-Acetyl-4-methylumbelliferone PubChem CID: 5324648 IUPAC Name: 8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one SMILES: CC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O

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PubChem CID	5324648
CAS	2555-29-5
Molecular Weight (g/mol)	218.21
MDL Number	MFCD00100602
SMILES	CC(=O)C1=C2OC(=O)C=C(C)C2=CC=C1O
Synonym	8-Acetyl-4-methylumbelliferone
IUPAC Name	8-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one
InChI Key	WZOMQVFUPMLOGT-UHFFFAOYSA-N
Molecular Formula	C12H10O4

Naphthalene-1,4,5,8-tetracarboxylic Dianhydride (purified by sublimation) 98.0+%, TCI America™

CAS: 81-30-1 Molecular Formula: C14H4O6 Molecular Weight (g/mol): 268.18 MDL Number: MFCD00006915 InChI Key: YTVNOVQHSGMMOV-UHFFFAOYSA-N Synonym: 1,4,5,8-naphthalenetetracarboxylic dianhydride,ntcda,naphthalenetetracarboxylic dianhydride,isochromeno 6,5,4-def isochromene-1,3,6,8-tetraone,ntda,unii-l56xqd1v6y,2,7-dioxapyrene-1,3,6,8-tetrone,naphthalene-1,8:4,5-tetracarboxylic dianhydride,1,8:4,5-naphthalenetetracarboxylic dianhydride,naphthalene-1,4,5,8-tetracarboxylic dianhydride PubChem CID: 6678 SMILES: C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O

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Specifications

PubChem CID	6678
CAS	81-30-1
Molecular Weight (g/mol)	268.18
MDL Number	MFCD00006915
SMILES	C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O
Synonym	1,4,5,8-naphthalenetetracarboxylic dianhydride,ntcda,naphthalenetetracarboxylic dianhydride,isochromeno 6,5,4-def isochromene-1,3,6,8-tetraone,ntda,unii-l56xqd1v6y,2,7-dioxapyrene-1,3,6,8-tetrone,naphthalene-1,8:4,5-tetracarboxylic dianhydride,1,8:4,5-naphthalenetetracarboxylic dianhydride,naphthalene-1,4,5,8-tetracarboxylic dianhydride
InChI Key	YTVNOVQHSGMMOV-UHFFFAOYSA-N
Molecular Formula	C14H4O6

3-(1-Naphthyl)acrylic Acid 95.0+%, TCI America™

CAS: 13026-12-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014317,MFCD00014317 InChI Key: WPXMLUUYWNHQOR-CMDGGOBGSA-N Synonym: naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid PubChem CID: 12158295 IUPAC Name: (2E)-3-(naphthalen-1-yl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1

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PubChem CID	12158295
CAS	13026-12-5
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00014317,MFCD00014317
SMILES	OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1
Synonym	naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid
IUPAC Name	(2E)-3-(naphthalen-1-yl)prop-2-enoic acid
InChI Key	WPXMLUUYWNHQOR-CMDGGOBGSA-N
Molecular Formula	C13H10O2

(E)-3,4-Dihydroxybenzylideneacetone, 97%, Thermo Scientific Chemicals

CAS: 123694-03-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00916691 InChI Key: YIFZKRGUGKLILR-UHFFFAOYSA-N Synonym: 3-buten-2-one,4-3,4-dihydroxyphenyl-, 3e,3,4-dihydroxybenzalacetone,acmc-20dpit PubChem CID: 53446072 IUPAC Name: 4-(3,4-dihydroxyphenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=CC(=C(C=C1)O)O

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Specifications

PubChem CID	53446072
CAS	123694-03-1
Molecular Weight (g/mol)	178.187
MDL Number	MFCD00916691
SMILES	CC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym	3-buten-2-one,4-3,4-dihydroxyphenyl-, 3e,3,4-dihydroxybenzalacetone,acmc-20dpit
IUPAC Name	4-(3,4-dihydroxyphenyl)but-3-en-2-one
InChI Key	YIFZKRGUGKLILR-UHFFFAOYSA-N
Molecular Formula	C10H10O3

3,6-Dihydroxyflavone, 97%, Thermo Scientific Chemicals

CAS: 108238-41-1 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00143082 InChI Key: XHLOLFKZCUCROE-UHFFFAOYSA-N Synonym: 3,6-dihydroxyflavone,3,6-dihydroxy-2-phenyl-4h-chromen-4-one,6-hydroxyflavonol,3,6-dihydroxy-flavone,4h-1-benzopyran-4-one, 3,6-dihydroxy-2-phenyl,acmc-1c7fz,3,6-dihydroxy-2-phenylchromone PubChem CID: 688659 IUPAC Name: 3,6-dihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O

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Specifications

PubChem CID	688659
CAS	108238-41-1
Molecular Weight (g/mol)	254.241
MDL Number	MFCD00143082
SMILES	C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O
Synonym	3,6-dihydroxyflavone,3,6-dihydroxy-2-phenyl-4h-chromen-4-one,6-hydroxyflavonol,3,6-dihydroxy-flavone,4h-1-benzopyran-4-one, 3,6-dihydroxy-2-phenyl,acmc-1c7fz,3,6-dihydroxy-2-phenylchromone
IUPAC Name	3,6-dihydroxy-2-phenylchromen-4-one
InChI Key	XHLOLFKZCUCROE-UHFFFAOYSA-N
Molecular Formula	C15H10O4

1,3-Diphenyl-2-propyn-1-ol, tech. 90%, Thermo Scientific Chemicals

CAS: 1817-49-8 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD06654198 InChI Key: DZZWMODRWHHWFR-UHFFFAOYSA-N Synonym: 1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol PubChem CID: 296659 IUPAC Name: 1,3-diphenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O

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Specifications

PubChem CID	296659
CAS	1817-49-8
Molecular Weight (g/mol)	208.26
MDL Number	MFCD06654198
SMILES	C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O
Synonym	1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol
IUPAC Name	1,3-diphenylprop-2-yn-1-ol
InChI Key	DZZWMODRWHHWFR-UHFFFAOYSA-N
Molecular Formula	C15H12O

3-Aminocoumarin, 97%, Thermo Scientific Chemicals

CAS: 1635-31-0 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00016965 InChI Key: QWZHDKGQKYEBKK-UHFFFAOYSA-N Synonym: 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous PubChem CID: 74217 IUPAC Name: 3-aminochromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)N

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Specifications

PubChem CID	74217
CAS	1635-31-0
Molecular Weight (g/mol)	161.16
MDL Number	MFCD00016965
SMILES	C1=CC=C2C(=C1)C=C(C(=O)O2)N
Synonym	3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous
IUPAC Name	3-aminochromen-2-one
InChI Key	QWZHDKGQKYEBKK-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

7-Ethoxycoumarin, 99%, Thermo Scientific Chemicals

CAS: 31005-02-4 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00006877 InChI Key: LIFAQMGORKPVDH-UHFFFAOYSA-N Synonym: 7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx PubChem CID: 35703 ChEBI: CHEBI:28184 IUPAC Name: 7-ethoxychromen-2-one SMILES: CCOC1=CC2=C(C=C1)C=CC(=O)O2

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PubChem CID	35703
CAS	31005-02-4
Molecular Weight (g/mol)	190.198
ChEBI	CHEBI:28184
MDL Number	MFCD00006877
SMILES	CCOC1=CC2=C(C=C1)C=CC(=O)O2
Synonym	7-ethoxycoumarin,7-ethoxy-2h-chromen-2-one,ethylumbelliferone,2h-1-benzopyran-2-one, 7-ethoxy,7-ethoxy-2h-1-benzopyran-2-one,7-ethoxycoumarine,pubchem8680,coumarin, 7-ethoxy,acmc-209hjx
IUPAC Name	7-ethoxychromen-2-one
InChI Key	LIFAQMGORKPVDH-UHFFFAOYSA-N
Molecular Formula	C11H10O3

4',5-Dihydroxy-7-methoxyflavone, 97%, Thermo Scientific Chemicals

CAS: 437-64-9 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.267 MDL Number: MFCD00017452 InChI Key: JPMYFOBNRRGFNO-UHFFFAOYSA-N Synonym: genkwanin,gengkwanin,4',5-dihydroxy-7-methoxyflavone,5,4'-dihydroxy-7-methoxyflavone,7-o-methylapigenin,7-methylapigenin,apigenin 7-methyl ether,puddumetin,gonkwanin,unii-5k3i5d6b2b PubChem CID: 5281617 ChEBI: CHEBI:75718 IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O

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Specifications

PubChem CID	5281617
CAS	437-64-9
Molecular Weight (g/mol)	284.267
ChEBI	CHEBI:75718
MDL Number	MFCD00017452
SMILES	COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O
Synonym	genkwanin,gengkwanin,4',5-dihydroxy-7-methoxyflavone,5,4'-dihydroxy-7-methoxyflavone,7-o-methylapigenin,7-methylapigenin,apigenin 7-methyl ether,puddumetin,gonkwanin,unii-5k3i5d6b2b
IUPAC Name	5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
InChI Key	JPMYFOBNRRGFNO-UHFFFAOYSA-N
Molecular Formula	C16H12O5

Nujol, for IR spectroscopy, Thermo Scientific Chemicals

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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

3-(Boc-amino)-3-phenylpropionic acid, 97%, Thermo Scientific Chemicals

CAS: 14676-01-8 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD02090695 InChI Key: JTNQFJPZRTURSI-UHFFFAOYSA-N Synonym: 3-boc-amino-3-phenylpropionic acid,3-n-boc-3-phenylpropionic acid,boc-dl-beta-phe-oh,3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,3-boc-amino-3-phenyl-propionic acid,3-tert-butoxycarbonylamino-3-phenylpropanoic acid,3-tert-butoxy carbonyl amino-3-phenylpropanoic acid,boc-d-,a-phe-oh,pubchem16181 PubChem CID: 2756815 IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

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PubChem CID	2756815
CAS	14676-01-8
Molecular Weight (g/mol)	265.309
MDL Number	MFCD02090695
SMILES	CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym	3-boc-amino-3-phenylpropionic acid,3-n-boc-3-phenylpropionic acid,boc-dl-beta-phe-oh,3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,3-boc-amino-3-phenyl-propionic acid,3-tert-butoxycarbonylamino-3-phenylpropanoic acid,3-tert-butoxy carbonyl amino-3-phenylpropanoic acid,boc-d-,a-phe-oh,pubchem16181
IUPAC Name	3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key	JTNQFJPZRTURSI-UHFFFAOYSA-N
Molecular Formula	C14H19NO4

4-(2-Carboxyethyl)benzeneboronic acid, 97%, Thermo Scientific Chemicals

CAS: 166316-48-9 Molecular Formula: C9H11BO4 Molecular Weight (g/mol): 193.993 MDL Number: MFCD01318119 InChI Key: VPSARXNVXCRDIV-UHFFFAOYSA-N Synonym: 3-4-boronophenyl propanoic acid,4-2-carboxyethyl phenylboronic acid,4-2-carboxyethyl benzeneboronic acid,3-4-boronophenyl propionic acid,3-4-dihydroxyboranyl phenyl propanoic acid,acmc-209dty,benzenepropanoic acid,4-borono,3-4-boronophenyl-propanoic acid,4-borono-benzenepropanoic acid,4-2-carboxyethyl phenyl boronic acid PubChem CID: 3863484 IUPAC Name: 3-(4-boronophenyl)propanoic acid SMILES: B(C1=CC=C(C=C1)CCC(=O)O)(O)O

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Specifications

PubChem CID	3863484
CAS	166316-48-9
Molecular Weight (g/mol)	193.993
MDL Number	MFCD01318119
SMILES	B(C1=CC=C(C=C1)CCC(=O)O)(O)O
Synonym	3-4-boronophenyl propanoic acid,4-2-carboxyethyl phenylboronic acid,4-2-carboxyethyl benzeneboronic acid,3-4-boronophenyl propionic acid,3-4-dihydroxyboranyl phenyl propanoic acid,acmc-209dty,benzenepropanoic acid,4-borono,3-4-boronophenyl-propanoic acid,4-borono-benzenepropanoic acid,4-2-carboxyethyl phenyl boronic acid
IUPAC Name	3-(4-boronophenyl)propanoic acid
InChI Key	VPSARXNVXCRDIV-UHFFFAOYSA-N
Molecular Formula	C9H11BO4

(S)-(-)-3-Hydroxy-3-phenylpropionic acid, 98+%, Thermo Scientific Chemicals

CAS: 36567-72-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00145262 InChI Key: AYOLELPCNDVZKZ-QMMMGPOBSA-N Synonym: s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,?-3-phenylhydracrylic acid,benzenepropanoic acid,,benzenepropanoic acid,,a-hydroxy-,,as,unii-s2w4lws09c component,unii-s2w4lws09c component PubChem CID: 2735057 ChEBI: CHEBI:51058 IUPAC Name: (3S)-3-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)O

Pricing & Availability
Specifications

PubChem CID	2735057
CAS	36567-72-3
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:51058
MDL Number	MFCD00145262
SMILES	C1=CC=C(C=C1)C(CC(=O)O)O
Synonym	s-3-hydroxy-3-phenylpropanoic acid,s-3-hydroxy-3-phenylpropionic acid sum of enantiomers, gc,s-3-hydroxy-3-phenylpropionic acid,?-3-phenylhydracrylic acid,?-3-phenylhydracrylic acid,benzenepropanoic acid,,benzenepropanoic acid,,a-hydroxy-,,as,unii-s2w4lws09c component,unii-s2w4lws09c component
IUPAC Name	(3S)-3-hydroxy-3-phenylpropanoic acid
InChI Key	AYOLELPCNDVZKZ-QMMMGPOBSA-N
Molecular Formula	C9H10O3

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Phenylpropanoids and polyketides

Phenylpropanoids and polyketides

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