Phenylpropanoids and polyketides

Phenylpropanoids and polyketides




















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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: *

PubChem CID | 68245 |
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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 |
Acacetin 98.0+%, TCI America™
CAS: 480-44-4 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.267 MDL Number: MFCD00016936 InChI Key: DANYIYRPLHHOCZ-UHFFFAOYSA-N Synonym: acacetin,linarigenin,5,7-dihydroxy-4'-methoxyflavone,acacetine,4'-methoxyapigenin,buddleoflavonol,linarisenin,akatsetin,apigenin 4'-methyl ether,5,7-dihydroxy-2-4-methoxyphenyl-4h-chromen-4-one PubChem CID: 5280442 ChEBI: CHEBI:15335 IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
PubChem CID | 5280442 |
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CAS | 480-44-4 |
Molecular Weight (g/mol) | 284.267 |
ChEBI | CHEBI:15335 |
MDL Number | MFCD00016936 |
SMILES | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O |
Synonym | acacetin,linarigenin,5,7-dihydroxy-4'-methoxyflavone,acacetine,4'-methoxyapigenin,buddleoflavonol,linarisenin,akatsetin,apigenin 4'-methyl ether,5,7-dihydroxy-2-4-methoxyphenyl-4h-chromen-4-one |
IUPAC Name | 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one |
InChI Key | DANYIYRPLHHOCZ-UHFFFAOYSA-N |
Molecular Formula | C16H12O5 |
Aegeline 98.0+%, TCI America™
CAS: 456-12-2 Molecular Formula: C18H19NO3 Molecular Weight (g/mol): 297.35 MDL Number: MFCD00048045 InChI Key: QRFDENJATPJOKG-UHFFFAOYNA-N Synonym: Aegelin, (E)-N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]cinnamamide PubChem CID: 15558419 IUPAC Name: N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide SMILES: COC1=CC=C(C=C1)C(O)CNC(=O)C=CC1=CC=CC=C1
PubChem CID | 15558419 |
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CAS | 456-12-2 |
Molecular Weight (g/mol) | 297.35 |
MDL Number | MFCD00048045 |
SMILES | COC1=CC=C(C=C1)C(O)CNC(=O)C=CC1=CC=CC=C1 |
Synonym | Aegelin, (E)-N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]cinnamamide |
IUPAC Name | N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide |
InChI Key | QRFDENJATPJOKG-UHFFFAOYNA-N |
Molecular Formula | C18H19NO3 |
3-Acetamidocoumarin 98.0+%, TCI America™
CAS: 779-30-6 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.20 MDL Number: MFCD00075556 InChI Key: XJYLCCJIDYSFMB-UHFFFAOYSA-N PubChem CID: 136620 IUPAC Name: N-(2-oxo-2H-chromen-3-yl)acetamide SMILES: CC(=O)NC1=CC2=CC=CC=C2OC1=O
PubChem CID | 136620 |
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CAS | 779-30-6 |
Molecular Weight (g/mol) | 203.20 |
MDL Number | MFCD00075556 |
SMILES | CC(=O)NC1=CC2=CC=CC=C2OC1=O |
IUPAC Name | N-(2-oxo-2H-chromen-3-yl)acetamide |
InChI Key | XJYLCCJIDYSFMB-UHFFFAOYSA-N |
Molecular Formula | C11H9NO3 |
4-Bromomethyl-6,7-dimethoxycoumarin 98.0+%, TCI America™
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 |
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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 |
4-Aminophenyl 4-Aminobenzoate 97.0+%, TCI America™
CAS: 20610-77-9 Molecular Formula: C13H12N2O2 Molecular Weight (g/mol): 228.25 MDL Number: MFCD16038468 InChI Key: LOCTYHIHNCOYJZ-UHFFFAOYSA-N Synonym: 4-Aminobenzoic Acid 4-Aminophenyl Ester PubChem CID: 15491725 IUPAC Name: 4-aminophenyl 4-aminobenzoate SMILES: NC1=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1
PubChem CID | 15491725 |
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CAS | 20610-77-9 |
Molecular Weight (g/mol) | 228.25 |
MDL Number | MFCD16038468 |
SMILES | NC1=CC=C(OC(=O)C2=CC=C(N)C=C2)C=C1 |
Synonym | 4-Aminobenzoic Acid 4-Aminophenyl Ester |
IUPAC Name | 4-aminophenyl 4-aminobenzoate |
InChI Key | LOCTYHIHNCOYJZ-UHFFFAOYSA-N |
Molecular Formula | C13H12N2O2 |
trans-4-Acetoxycinnamic Acid 98.0+%, TCI America™
CAS: 27542-85-4 Molecular Formula: C11H10O4 Molecular Weight (g/mol): 206.197 MDL Number: MFCD00016847 InChI Key: BYHBHNKBISXCEP-QPJJXVBHSA-N Synonym: trans-3-(4-Acetoxyphenyl)-2-propenoic Acid PubChem CID: 5373941 ChEBI: CHEBI:86580 IUPAC Name: (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid SMILES: CC(=O)OC1=CC=C(C=C1)C=CC(=O)O
PubChem CID | 5373941 |
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CAS | 27542-85-4 |
Molecular Weight (g/mol) | 206.197 |
ChEBI | CHEBI:86580 |
MDL Number | MFCD00016847 |
SMILES | CC(=O)OC1=CC=C(C=C1)C=CC(=O)O |
Synonym | trans-3-(4-Acetoxyphenyl)-2-propenoic Acid |
IUPAC Name | (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid |
InChI Key | BYHBHNKBISXCEP-QPJJXVBHSA-N |
Molecular Formula | C11H10O4 |
3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid, 98%, Thermo Scientific Chemicals
CAS: 20170-32-5 MDL Number: MFCD00017519 Synonym: 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid PubChem CID: 88389 IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
PubChem CID | 88389 |
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CAS | 20170-32-5 |
MDL Number | MFCD00017519 |
Synonym | 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid |
IUPAC Name | 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid |
4-Dimethylaminocinnamaldehyde, 98%, Thermo Scientific Chemicals
CAS: 6203-18-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 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
PubChem CID | 5284506 |
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CAS | 6203-18-5 |
Molecular Weight (g/mol) | 175.231 |
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 |
6-Hydroxyflavone, 98%, Thermo Scientific Chemicals
CAS: 6665-83-4 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.242 MDL Number: MFCD00017329 InChI Key: GPZYYYGYCRFPBU-UHFFFAOYSA-N Synonym: 6-hydroxyflavone,6-monohydroxyflavone,6-hydroxy-2-phenyl-4-benzopyrone,6-hydroxy-2-phenyl-chromen-4-one,6-hydroxy-2-phenyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 6-hydroxy-2-phenyl,6-hydroxy-flavone,6-hydroxy flavone,6-hydroxyflavone, 10 PubChem CID: 72279 ChEBI: CHEBI:34472 IUPAC Name: 6-hydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O
PubChem CID | 72279 |
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CAS | 6665-83-4 |
Molecular Weight (g/mol) | 238.242 |
ChEBI | CHEBI:34472 |
MDL Number | MFCD00017329 |
SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O |
Synonym | 6-hydroxyflavone,6-monohydroxyflavone,6-hydroxy-2-phenyl-4-benzopyrone,6-hydroxy-2-phenyl-chromen-4-one,6-hydroxy-2-phenyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 6-hydroxy-2-phenyl,6-hydroxy-flavone,6-hydroxy flavone,6-hydroxyflavone, 10 |
IUPAC Name | 6-hydroxy-2-phenylchromen-4-one |
InChI Key | GPZYYYGYCRFPBU-UHFFFAOYSA-N |
Molecular Formula | C15H10O3 |
3-(4-Chloro-3-methylphenyl)propionic acid, 96%, Thermo Scientific Chemicals
CAS: 1086386-05-1 Molecular Formula: C10H11ClO2 Molecular Weight (g/mol): 198.646 MDL Number: MFCD11655590 InChI Key: PCLIPGMIRVJYFB-UHFFFAOYSA-N Synonym: 3-4-chloro-3-methylphenyl propanoic acid,3-4-chloro-3-methyl-phenyl-propionic acid,3-4-chloro-3-methylphenyl propionic acid,benzenepropanoic acid, 4-chloro-3-methyl PubChem CID: 46741400 IUPAC Name: 3-(4-chloro-3-methylphenyl)propanoic acid SMILES: CC1=C(C=CC(=C1)CCC(=O)O)Cl
PubChem CID | 46741400 |
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CAS | 1086386-05-1 |
Molecular Weight (g/mol) | 198.646 |
MDL Number | MFCD11655590 |
SMILES | CC1=C(C=CC(=C1)CCC(=O)O)Cl |
Synonym | 3-4-chloro-3-methylphenyl propanoic acid,3-4-chloro-3-methyl-phenyl-propionic acid,3-4-chloro-3-methylphenyl propionic acid,benzenepropanoic acid, 4-chloro-3-methyl |
IUPAC Name | 3-(4-chloro-3-methylphenyl)propanoic acid |
InChI Key | PCLIPGMIRVJYFB-UHFFFAOYSA-N |
Molecular Formula | C10H11ClO2 |
2-Fluoro-4-(trifluoromethoxy)cinnamic acid, 97%, Thermo Scientific™
CAS: 1588504-91-9 Molecular Formula: C10H6F4O3 Molecular Weight (g/mol): 250.149 MDL Number: MFCD16652496 InChI Key: FGRCNSVSBCJRTF-DUXPYHPUSA-N Synonym: 2-fluoro-4-trifluoromethoxy cinnamic acid,2e-3-2-fluoro-4-trifluoromethoxy phenyl prop-2-enoic acid,3-2-fluoro-4-trifluoromethoxy phenyl acrylic acid PubChem CID: 66523628 IUPAC Name: (E)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enoic acid SMILES: C1=CC(=C(C=C1OC(F)(F)F)F)C=CC(=O)O
PubChem CID | 66523628 |
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CAS | 1588504-91-9 |
Molecular Weight (g/mol) | 250.149 |
MDL Number | MFCD16652496 |
SMILES | C1=CC(=C(C=C1OC(F)(F)F)F)C=CC(=O)O |
Synonym | 2-fluoro-4-trifluoromethoxy cinnamic acid,2e-3-2-fluoro-4-trifluoromethoxy phenyl prop-2-enoic acid,3-2-fluoro-4-trifluoromethoxy phenyl acrylic acid |
IUPAC Name | (E)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enoic acid |
InChI Key | FGRCNSVSBCJRTF-DUXPYHPUSA-N |
Molecular Formula | C10H6F4O3 |
3-[3-(Benzyloxy)phenyl]propionic acid, 96%, Thermo Scientific Chemicals
CAS: 57668-34-5 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD09258905 InChI Key: HVXOYUOKPLHWNU-UHFFFAOYSA-N Synonym: 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid PubChem CID: 21938504 IUPAC Name: 3-(3-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O
PubChem CID | 21938504 |
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CAS | 57668-34-5 |
Molecular Weight (g/mol) | 256.301 |
MDL Number | MFCD09258905 |
SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O |
Synonym | 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid |
IUPAC Name | 3-(3-phenylmethoxyphenyl)propanoic acid |
InChI Key | HVXOYUOKPLHWNU-UHFFFAOYSA-N |
Molecular Formula | C16H16O3 |
7-Amino-4-(trifluoromethyl)coumarin, 97%, Thermo Scientific Chemicals
CAS: 53518-15-3 Molecular Formula: C10H6F3NO2 Molecular Weight (g/mol): 229.158 MDL Number: MFCD00006858 InChI Key: JBNOVHJXQSHGRL-UHFFFAOYSA-N Synonym: coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017 PubChem CID: 100641 ChEBI: CHEBI:51772 IUPAC Name: 7-amino-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F
PubChem CID | 100641 |
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CAS | 53518-15-3 |
Molecular Weight (g/mol) | 229.158 |
ChEBI | CHEBI:51772 |
MDL Number | MFCD00006858 |
SMILES | C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F |
Synonym | coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017 |
IUPAC Name | 7-amino-4-(trifluoromethyl)chromen-2-one |
InChI Key | JBNOVHJXQSHGRL-UHFFFAOYSA-N |
Molecular Formula | C10H6F3NO2 |
trans-Cinnamaldehyde, 98+%, 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
PubChem CID | 637511 |
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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 |