Phenylpropanoids and polyketides
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4-Aminohydrocinnamic Acid 98.0+%, TCI America™
CAS: 2393-17-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00017118 InChI Key: WXOHKMNWMKZMND-UHFFFAOYSA-N Synonym: 3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid PubChem CID: 75451 IUPAC Name: 3-(4-aminophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)N
| PubChem CID | 75451 |
|---|---|
| CAS | 2393-17-1 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00017118 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)N |
| Synonym | 3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid |
| IUPAC Name | 3-(4-aminophenyl)propanoic acid |
| InChI Key | WXOHKMNWMKZMND-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Flavanone 98.0+%, TCI America™
CAS: 487-26-3 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00006841 InChI Key: ZONYXWQDUYMKFB-UHFFFAOYNA-N Synonym: flavanone,2-phenylchroman-4-one,2,3-dihydroflavone,2-phenyl-4-chromanone,4-flavanone,2,3-dihydro-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-2-phenyl,2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-2-phenyl-4h-benzopyran-4-one,2-phenyl-3,4-dihydro-2h-1-benzopyran-4-one PubChem CID: 10251 ChEBI: CHEBI:5070 IUPAC Name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one SMILES: O=C1CC(OC2=CC=CC=C12)C1=CC=CC=C1
| PubChem CID | 10251 |
|---|---|
| CAS | 487-26-3 |
| Molecular Weight (g/mol) | 224.26 |
| ChEBI | CHEBI:5070 |
| MDL Number | MFCD00006841 |
| SMILES | O=C1CC(OC2=CC=CC=C12)C1=CC=CC=C1 |
| Synonym | flavanone,2-phenylchroman-4-one,2,3-dihydroflavone,2-phenyl-4-chromanone,4-flavanone,2,3-dihydro-2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2,3-dihydro-2-phenyl,2-phenyl-2,3-dihydro-4h-chromen-4-one,2,3-dihydro-2-phenyl-4h-benzopyran-4-one,2-phenyl-3,4-dihydro-2h-1-benzopyran-4-one |
| IUPAC Name | 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one |
| InChI Key | ZONYXWQDUYMKFB-UHFFFAOYNA-N |
| Molecular Formula | C15H12O2 |
3-Hydroxy-3-phenylpropionic Acid 98.0+%, TCI America™
CAS: 3480-87-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00137907 InChI Key: AYOLELPCNDVZKZ-UHFFFAOYSA-N PubChem CID: 92959 ChEBI: CHEBI:19929 IUPAC Name: 3-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)O
| PubChem CID | 92959 |
|---|---|
| CAS | 3480-87-3 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:19929 |
| MDL Number | MFCD00137907 |
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)O |
| IUPAC Name | 3-hydroxy-3-phenylpropanoic acid |
| InChI Key | AYOLELPCNDVZKZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
6-Nitrocoumarin 98.0+%, TCI America™
CAS: 2725-81-7 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD00016973 InChI Key: RMERXEXZXIVNBF-UHFFFAOYSA-N Synonym: 6-nitrocoumarin,6-nitro-2h-chromen-2-one,6-nitro-2-benzopyrone,2h-1-benzopyran-2-one, 6-nitro,acmc-20abd6,maybridge1_002226,amtgc084,6-nitro-2h-chromen-2-one #,2h-1-benzopyran-2-one,6-nitro,6-hydroxy oxido amino-2h-chromen-2-one PubChem CID: 75944 IUPAC Name: 6-nitrochromen-2-one SMILES: C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]
| PubChem CID | 75944 |
|---|---|
| CAS | 2725-81-7 |
| Molecular Weight (g/mol) | 191.142 |
| MDL Number | MFCD00016973 |
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-] |
| Synonym | 6-nitrocoumarin,6-nitro-2h-chromen-2-one,6-nitro-2-benzopyrone,2h-1-benzopyran-2-one, 6-nitro,acmc-20abd6,maybridge1_002226,amtgc084,6-nitro-2h-chromen-2-one #,2h-1-benzopyran-2-one,6-nitro,6-hydroxy oxido amino-2h-chromen-2-one |
| IUPAC Name | 6-nitrochromen-2-one |
| InChI Key | RMERXEXZXIVNBF-UHFFFAOYSA-N |
| Molecular Formula | C9H5NO4 |
4-Hydroxychalcone 97.0+%, TCI America™
CAS: 20426-12-4 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00016488 InChI Key: PWWCDTYUYPOAIU-DHZHZOJOSA-N Synonym: 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 PubChem CID: 5282361 ChEBI: CHEBI:34423 IUPAC Name: (2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one SMILES: OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1
| PubChem CID | 5282361 |
|---|---|
| CAS | 20426-12-4 |
| Molecular Weight (g/mol) | 224.26 |
| ChEBI | CHEBI:34423 |
| MDL Number | MFCD00016488 |
| SMILES | OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1 |
| Synonym | 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 |
| IUPAC Name | (2E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one |
| InChI Key | PWWCDTYUYPOAIU-DHZHZOJOSA-N |
| Molecular Formula | C15H12O2 |
Tris(dibenzoylmethanato) Iron 97.0+%, TCI America™
CAS: 14405-49-3 Molecular Formula: C45H33FeO6 Molecular Weight (g/mol): 725.60 MDL Number: MFCD00192557,MFCD14636458 InChI Key: JWPHPBLJVLHKOZ-UHFFFAOYSA-K Synonym: tris dibenzoylmethanato iron,iron iii diphenylpropanedionate PubChem CID: 57369570 IUPAC Name: iron(3+) tris(3-oxo-1,3-diphenylprop-1-en-1-olate) SMILES: [Fe+3].[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 57369570 |
|---|---|
| CAS | 14405-49-3 |
| Molecular Weight (g/mol) | 725.60 |
| MDL Number | MFCD00192557,MFCD14636458 |
| SMILES | [Fe+3].[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1.[O-]C(=CC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tris dibenzoylmethanato iron,iron iii diphenylpropanedionate |
| IUPAC Name | iron(3+) tris(3-oxo-1,3-diphenylprop-1-en-1-olate) |
| InChI Key | JWPHPBLJVLHKOZ-UHFFFAOYSA-K |
| Molecular Formula | C45H33FeO6 |
Tyrphostin AG 490 98.0+%, TCI America™
CAS: 133550-30-8 Molecular Formula: C17H14N2O3 Molecular Weight (g/mol): 294.31 InChI Key: TUCIOBMMDDOEMM-RIYZIHGNSA-N PubChem CID: 5328779 IUPAC Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
| PubChem CID | 5328779 |
|---|---|
| CAS | 133550-30-8 |
| Molecular Weight (g/mol) | 294.31 |
| SMILES | C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N |
| IUPAC Name | (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| InChI Key | TUCIOBMMDDOEMM-RIYZIHGNSA-N |
| Molecular Formula | C17H14N2O3 |
Br-Mmc (=4-Bromomethyl-7-methoxycoumarin) 98.0+%, TCI America™
CAS: 35231-44-8 Molecular Formula: C11H9BrO3 Molecular Weight (g/mol): 269.09 MDL Number: MFCD00006869 InChI Key: CTENSLORRMFPDH-UHFFFAOYSA-N Synonym: 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin PubChem CID: 121894 IUPAC Name: 4-(bromomethyl)-7-methoxy-2H-chromen-2-one SMILES: COC1=CC=C2C(CBr)=CC(=O)OC2=C1
| PubChem CID | 121894 |
|---|---|
| CAS | 35231-44-8 |
| Molecular Weight (g/mol) | 269.09 |
| MDL Number | MFCD00006869 |
| SMILES | COC1=CC=C2C(CBr)=CC(=O)OC2=C1 |
| Synonym | 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin |
| IUPAC Name | 4-(bromomethyl)-7-methoxy-2H-chromen-2-one |
| InChI Key | CTENSLORRMFPDH-UHFFFAOYSA-N |
| Molecular Formula | C11H9BrO3 |
4-Propoxycinnamic Acid 97.0+%, TCI America™
CAS: 69033-81-4 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 InChI Key: WTYNDSOJMSGRQV-YVMONPNESA-N Synonym: 3-(4-Propoxyphenyl)acrylic Acid PubChem CID: 7316300 IUPAC Name: (Z)-3-(4-propoxyphenyl)prop-2-enoic acid SMILES: CCCOC1=CC=C(C=C1)C=CC(=O)O
| PubChem CID | 7316300 |
|---|---|
| CAS | 69033-81-4 |
| Molecular Weight (g/mol) | 206.241 |
| SMILES | CCCOC1=CC=C(C=C1)C=CC(=O)O |
| Synonym | 3-(4-Propoxyphenyl)acrylic Acid |
| IUPAC Name | (Z)-3-(4-propoxyphenyl)prop-2-enoic acid |
| InChI Key | WTYNDSOJMSGRQV-YVMONPNESA-N |
| Molecular Formula | C12H14O3 |
alpha-Methylcinnamaldehyde 95.0+%, TCI America™
CAS: 101-39-3 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00006976 InChI Key: VLUMOWNVWOXZAU-CLFYSBASSA-N Synonym: alpha-methylcinnamaldehyde,a-methylcinnamaldehyde,2-propenal, 2-methyl-3-phenyl,2-methyl-3-phenylprop-2-enal,e-2-methyl-3-phenylpropenal,2-methyl-3-phenylacrylaldehyde,e-2-methyl-3-phenylacrylaldehyde,2-methyl-3-phenyl-2-propenal,2-methyl-3-phenylacrolein,alpha-methyl-trans-cinnamaldehyde PubChem CID: 5372813 IUPAC Name: (2Z)-2-methyl-3-phenylprop-2-enal SMILES: C\C(C=O)=C\C1=CC=CC=C1
| PubChem CID | 5372813 |
|---|---|
| CAS | 101-39-3 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00006976 |
| SMILES | C\C(C=O)=C\C1=CC=CC=C1 |
| Synonym | alpha-methylcinnamaldehyde,a-methylcinnamaldehyde,2-propenal, 2-methyl-3-phenyl,2-methyl-3-phenylprop-2-enal,e-2-methyl-3-phenylpropenal,2-methyl-3-phenylacrylaldehyde,e-2-methyl-3-phenylacrylaldehyde,2-methyl-3-phenyl-2-propenal,2-methyl-3-phenylacrolein,alpha-methyl-trans-cinnamaldehyde |
| IUPAC Name | (2Z)-2-methyl-3-phenylprop-2-enal |
| InChI Key | VLUMOWNVWOXZAU-CLFYSBASSA-N |
| Molecular Formula | C10H10O |
p-Tolyl Salicylate, TCI America™
CAS: 607-88-5 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00059616 InChI Key: AMYKXJAXRJCLCV-UHFFFAOYSA-N Synonym: p-Cresyl Salicylate, 4-Methylphenyl Salicylate, Salicylic Acid 4-Methylphenyl Ester, Salicylic Acid p-Tolyl Ester PubChem CID: 69091 IUPAC Name: (4-methylphenyl) 2-hydroxybenzoate SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
| PubChem CID | 69091 |
|---|---|
| CAS | 607-88-5 |
| Molecular Weight (g/mol) | 228.247 |
| MDL Number | MFCD00059616 |
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| Synonym | p-Cresyl Salicylate, 4-Methylphenyl Salicylate, Salicylic Acid 4-Methylphenyl Ester, Salicylic Acid p-Tolyl Ester |
| IUPAC Name | (4-methylphenyl) 2-hydroxybenzoate |
| InChI Key | AMYKXJAXRJCLCV-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
2-Hydroxycinnamaldehyde 98.0+%, TCI America™
CAS: 3541-42-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD01736614 InChI Key: BSDNZCQPDVTDET-HWKANZROSA-N Synonym: 3-(2-Hydroxyphenyl)-2-propenal, 3-(2-Hydroxyphenyl)acrylaldehyde PubChem CID: 5318169 IUPAC Name: (E)-3-(2-hydroxyphenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)O
| PubChem CID | 5318169 |
|---|---|
| CAS | 3541-42-2 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD01736614 |
| SMILES | C1=CC=C(C(=C1)C=CC=O)O |
| Synonym | 3-(2-Hydroxyphenyl)-2-propenal, 3-(2-Hydroxyphenyl)acrylaldehyde |
| IUPAC Name | (E)-3-(2-hydroxyphenyl)prop-2-enal |
| InChI Key | BSDNZCQPDVTDET-HWKANZROSA-N |
| Molecular Formula | C9H8O2 |
Amyl 4-(4-Ethoxyphenoxycarbonyl)phenyl Carbonate 95.0+%, TCI America™
CAS: 33926-46-4 Molecular Formula: C21H24O6 Molecular Weight (g/mol): 372.42 MDL Number: MFCD00059434 InChI Key: QVUSHDHMLLZBDM-UHFFFAOYSA-N Synonym: 4-(4-Ethoxyphenoxycarbonyl)phenyl Pentyl Carbonate PubChem CID: 578675 IUPAC Name: 4-ethoxyphenyl 4-{[(pentyloxy)carbonyl]oxy}benzoate SMILES: CCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC1=CC=C(OCC)C=C1
| PubChem CID | 578675 |
|---|---|
| CAS | 33926-46-4 |
| Molecular Weight (g/mol) | 372.42 |
| MDL Number | MFCD00059434 |
| SMILES | CCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC1=CC=C(OCC)C=C1 |
| Synonym | 4-(4-Ethoxyphenoxycarbonyl)phenyl Pentyl Carbonate |
| IUPAC Name | 4-ethoxyphenyl 4-{[(pentyloxy)carbonyl]oxy}benzoate |
| InChI Key | QVUSHDHMLLZBDM-UHFFFAOYSA-N |
| Molecular Formula | C21H24O6 |
DL-4-Hydroxyphenyllactic Acid 98.0+%, TCI America™
CAS: 306-23-0 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00010514 InChI Key: JVGVDSSUAVXRDY-UHFFFAOYNA-N Synonym: 2-Hydroxy-3-(4-hydroxyphenyl)propionic Acid PubChem CID: 9378 ChEBI: CHEBI:17385 IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid SMILES: OC(CC1=CC=C(O)C=C1)C(O)=O
| PubChem CID | 9378 |
|---|---|
| CAS | 306-23-0 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:17385 |
| MDL Number | MFCD00010514 |
| SMILES | OC(CC1=CC=C(O)C=C1)C(O)=O |
| Synonym | 2-Hydroxy-3-(4-hydroxyphenyl)propionic Acid |
| IUPAC Name | 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
| InChI Key | JVGVDSSUAVXRDY-UHFFFAOYNA-N |
| Molecular Formula | C9H10O4 |
N-Succinimidyl 7-Hydroxycoumarin-3-carboxylate 96.0+%, TCI America™
CAS: 134471-24-2 Molecular Formula: C14H9NO7 Molecular Weight (g/mol): 303.226 MDL Number: MFCD00037568 InChI Key: KFEBWCYYRFZMTJ-UHFFFAOYSA-N Synonym: 7-Hydroxycoumarin-3-carboxylic Acid N-Succinimidyl Ester, N-Succinimidyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid N-Succinimidyl Ester PubChem CID: 5706554 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 7-hydroxy-2-oxochromene-3-carboxylate SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O
| PubChem CID | 5706554 |
|---|---|
| CAS | 134471-24-2 |
| Molecular Weight (g/mol) | 303.226 |
| MDL Number | MFCD00037568 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O |
| Synonym | 7-Hydroxycoumarin-3-carboxylic Acid N-Succinimidyl Ester, N-Succinimidyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid N-Succinimidyl Ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 7-hydroxy-2-oxochromene-3-carboxylate |
| InChI Key | KFEBWCYYRFZMTJ-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO7 |