Phenylpropanoids and polyketides
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p-Methoxycinnamic acid, 98%, predominantly trans
CAS: 830-09-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=CC(=O)O
| PubChem CID | 699414 |
|---|---|
| CAS | 830-09-1 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00004398 |
| SMILES | COC1=CC=C(C=C1)C=CC(=O)O |
| Synonym | 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid |
| IUPAC Name | (E)-3-(4-methoxyphenyl)prop-2-enoic acid |
| InChI Key | AFDXODALSZRGIH-QPJJXVBHSA-N |
| Molecular Formula | C10H10O3 |
trans-3-Fluorocinnamic acid, 98%
CAS: 20595-30-6 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.151 MDL Number: MFCD00004383 InChI Key: RTSIUKMGSDOSTI-SNAWJCMRSA-N Synonym: 3-fluorocinnamic acid,3-3-fluorophenyl acrylic acid,trans-3-fluorocinnamic acid,2e-3-3-fluorophenyl prop-2-enoic acid,e-3-3-fluorophenyl acrylic acid,m-fluorocinnamic acid,trans 3-fluorocinnamic acid,3-3-fluoro-phenyl-acrylic acid,trans-m-fluorocinnamic,e-3-3-fluorophenyl prop-2-enoic acid PubChem CID: 1551219 IUPAC Name: (E)-3-(3-fluorophenyl)prop-2-enoic acid SMILES: C1=CC(=CC(=C1)F)C=CC(=O)O
| PubChem CID | 1551219 |
|---|---|
| CAS | 20595-30-6 |
| Molecular Weight (g/mol) | 166.151 |
| MDL Number | MFCD00004383 |
| SMILES | C1=CC(=CC(=C1)F)C=CC(=O)O |
| Synonym | 3-fluorocinnamic acid,3-3-fluorophenyl acrylic acid,trans-3-fluorocinnamic acid,2e-3-3-fluorophenyl prop-2-enoic acid,e-3-3-fluorophenyl acrylic acid,m-fluorocinnamic acid,trans 3-fluorocinnamic acid,3-3-fluoro-phenyl-acrylic acid,trans-m-fluorocinnamic,e-3-3-fluorophenyl prop-2-enoic acid |
| IUPAC Name | (E)-3-(3-fluorophenyl)prop-2-enoic acid |
| InChI Key | RTSIUKMGSDOSTI-SNAWJCMRSA-N |
| Molecular Formula | C9H7FO2 |
4-Chlorocinnamamide, 97%
CAS: 18166-64-8 Molecular Formula: C9H8ClNO Molecular Weight (g/mol): 181.62 MDL Number: MFCD00017147 InChI Key: PWXPFYVNYKVJBW-ZZXKWVIFSA-N Synonym: 4-chlorocinnamamide,p-chlorocinnamamide,2e-3-4-chlorophenyl prop-2-enamide,3-4-chlorophenyl acrylamide,p-chlorocinnamide,4-chlorocinnamide,trans,4-chlorobenzeneacrylamide,2e-3-4-chlorophenyl acrylamide,e-3-4-chlorophenyl prop-2-enamide PubChem CID: 5364144 IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enamide SMILES: NC(=O)\C=C\C1=CC=C(Cl)C=C1
| PubChem CID | 5364144 |
|---|---|
| CAS | 18166-64-8 |
| Molecular Weight (g/mol) | 181.62 |
| MDL Number | MFCD00017147 |
| SMILES | NC(=O)\C=C\C1=CC=C(Cl)C=C1 |
| Synonym | 4-chlorocinnamamide,p-chlorocinnamamide,2e-3-4-chlorophenyl prop-2-enamide,3-4-chlorophenyl acrylamide,p-chlorocinnamide,4-chlorocinnamide,trans,4-chlorobenzeneacrylamide,2e-3-4-chlorophenyl acrylamide,e-3-4-chlorophenyl prop-2-enamide |
| IUPAC Name | (E)-3-(4-chlorophenyl)prop-2-enamide |
| InChI Key | PWXPFYVNYKVJBW-ZZXKWVIFSA-N |
| Molecular Formula | C9H8ClNO |
4-Phenylcinnamic acid, 98%
CAS: 13026-23-8 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00014010 InChI Key: DMJDEZUEYXVYNO-FLIBITNWSA-N Synonym: 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid PubChem CID: 5842785 IUPAC Name: (E)-3-(4-phenylphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 5842785 |
|---|---|
| CAS | 13026-23-8 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00014010 |
| SMILES | OC(=O)\C=C/C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-phenylcinnamic acid,3-1,1'-biphenyl-4-yl acrylic acid,p-phenylcinnamic acid,e-3-1,1'-biphenyl-4-yl acrylic acid,2e-3-4-phenylphenyl prop-2-enoic acid,2e-3-biphenyl-4-ylacrylic acid,3-4-phenylphenyl prop-2-enoic acid,2e-3-1,1'-biphenyl-4-yl prop-2-enoic acid,trans-4-phenylcinnamic acid,biphenylylacrylicacid |
| IUPAC Name | (E)-3-(4-phenylphenyl)prop-2-enoic acid |
| InChI Key | DMJDEZUEYXVYNO-FLIBITNWSA-N |
| Molecular Formula | C15H12O2 |
3-Methylcinnamic acid, 98%, Thermo Scientific™
CAS: 3029-79-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00016844 InChI Key: JZINNAKNHHQBOS-AATRIKPKSA-N Synonym: 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e PubChem CID: 2063448 ChEBI: CHEBI:61118 IUPAC Name: (E)-3-(3-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=CC(=C1)C=CC(=O)O
| PubChem CID | 2063448 |
|---|---|
| CAS | 3029-79-6 |
| Molecular Weight (g/mol) | 162.19 |
| ChEBI | CHEBI:61118 |
| MDL Number | MFCD00016844 |
| SMILES | CC1=CC=CC(=C1)C=CC(=O)O |
| Synonym | 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e |
| IUPAC Name | (E)-3-(3-methylphenyl)prop-2-enoic acid |
| InChI Key | JZINNAKNHHQBOS-AATRIKPKSA-N |
| Molecular Formula | C10H10O2 |
4-Isopropylcinnamic acid, predominantly trans, 98+%
CAS: 3368-21-6 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00016544 InChI Key: SJDOOXOUSJDYFE-VMPITWQZSA-N Synonym: 4-isopropylcinnamic acid,3-4-isopropylphenyl acrylic acid,p-isopropylcinnamic acid,2e-3-4-isopropylphenyl acrylic acid,cinnamic acid, p-isopropyl,2-propenoic acid, 3-4-1-methylethyl phenyl,2e-3-4-propan-2-yl phenyl prop-2-enoic acid,e-3-4-isopropylphenyl acrylic acid,e-3-4-isopropyl-phenyl-acrylic acid,2e-3-4-isopropylphenyl prop-2-enoic acid PubChem CID: 719753 IUPAC Name: (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid SMILES: CC(C)C1=CC=C(\C=C\C(O)=O)C=C1
| PubChem CID | 719753 |
|---|---|
| CAS | 3368-21-6 |
| Molecular Weight (g/mol) | 190.24 |
| MDL Number | MFCD00016544 |
| SMILES | CC(C)C1=CC=C(\C=C\C(O)=O)C=C1 |
| Synonym | 4-isopropylcinnamic acid,3-4-isopropylphenyl acrylic acid,p-isopropylcinnamic acid,2e-3-4-isopropylphenyl acrylic acid,cinnamic acid, p-isopropyl,2-propenoic acid, 3-4-1-methylethyl phenyl,2e-3-4-propan-2-yl phenyl prop-2-enoic acid,e-3-4-isopropylphenyl acrylic acid,e-3-4-isopropyl-phenyl-acrylic acid,2e-3-4-isopropylphenyl prop-2-enoic acid |
| IUPAC Name | (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid |
| InChI Key | SJDOOXOUSJDYFE-VMPITWQZSA-N |
| Molecular Formula | C12H14O2 |
Ferulic Acid, Powder, Spectrum™ Chemical
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CAS: 1135-24-6
| CAS | 1135-24-6 |
|---|
3,5-Dimethoxy-4-hydroxycinnamic acid, 98%, predominantly trans isomer
CAS: 530-59-6 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.21 InChI Key: PCMORTLOPMLEFB-ONEGZZNKSA-N Synonym: sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec PubChem CID: 637775 ChEBI: CHEBI:15714 IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1O)OC)C=CC(=O)O
| PubChem CID | 637775 |
|---|---|
| CAS | 530-59-6 |
| Molecular Weight (g/mol) | 224.21 |
| ChEBI | CHEBI:15714 |
| SMILES | COC1=CC(=CC(=C1O)OC)C=CC(=O)O |
| Synonym | sinapic acid,sinapinic acid,3,5-dimethoxy-4-hydroxycinnamic acid,sinapinate,sinapate,trans-sinapic acid,4-hydroxy-3,5-dimethoxycinnamic acid,synapoic acid,2e-3-4-hydroxy-3,5-dimethoxyphenyl prop-2-enoic acid,unii-p0i60993ec |
| IUPAC Name | (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid |
| InChI Key | PCMORTLOPMLEFB-ONEGZZNKSA-N |
| Molecular Formula | C11H12O5 |
3,4,5-Trimethoxycinnamic acid, predominantly trans, 99%
CAS: 90-50-6 Molecular Formula: C12H14O5 Molecular Weight (g/mol): 238.239 MDL Number: MFCD00004388 InChI Key: YTFVRYKNXDADBI-SNAWJCMRSA-N Synonym: 3,4,5-trimethoxycinnamic acid,o-methylsinapic acid,3,4,5-trimethoxyphenylacrylic acid,3-3,4,5-trimethoxyphenyl acrylic acid,3-3,4,5-trimethoxyphenyl-2-propenoic acid,3,4,5-trimethoxy cinnamic acid,sinapic acid methyl ether,e-3-3,4,5-trimethoxyphenyl acrylic acid,cinnamic acid, 3,4,5-trimethoxy,2e-3-3,4,5-trimethoxyphenyl acrylic acid PubChem CID: 735755 IUPAC Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)O
| PubChem CID | 735755 |
|---|---|
| CAS | 90-50-6 |
| Molecular Weight (g/mol) | 238.239 |
| MDL Number | MFCD00004388 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)O |
| Synonym | 3,4,5-trimethoxycinnamic acid,o-methylsinapic acid,3,4,5-trimethoxyphenylacrylic acid,3-3,4,5-trimethoxyphenyl acrylic acid,3-3,4,5-trimethoxyphenyl-2-propenoic acid,3,4,5-trimethoxy cinnamic acid,sinapic acid methyl ether,e-3-3,4,5-trimethoxyphenyl acrylic acid,cinnamic acid, 3,4,5-trimethoxy,2e-3-3,4,5-trimethoxyphenyl acrylic acid |
| IUPAC Name | (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid |
| InChI Key | YTFVRYKNXDADBI-SNAWJCMRSA-N |
| Molecular Formula | C12H14O5 |
trans-2-Methoxycinnamic acid, 98+%
CAS: 1011-54-7 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00064238 InChI Key: FEGVSPGUHMGGBO-VOTSOKGWSA-N Synonym: 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid PubChem CID: 734154 IUPAC Name: (E)-3-(2-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC=C1C=CC(=O)O
| PubChem CID | 734154 |
|---|---|
| CAS | 1011-54-7 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00064238 |
| SMILES | COC1=CC=CC=C1C=CC(=O)O |
| Synonym | 2-methoxycinnamic acid,trans-2-methoxycinnamic acid,3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl acrylic acid,2e-3-2-methoxyphenyl prop-2-enoic acid,o-methoxycinnamic acid,e-3-2-methoxyphenyl acrylic acid,e-3-2-methoxyphenyl-2-propenoic acid,e-o-methoxycinnamic acid,trans-o-methyl-o-coumaric acid |
| IUPAC Name | (E)-3-(2-methoxyphenyl)prop-2-enoic acid |
| InChI Key | FEGVSPGUHMGGBO-VOTSOKGWSA-N |
| Molecular Formula | C10H10O3 |
trans-4-Nitrocinnamic acid, 98+%
CAS: 882-06-4 Molecular Formula: C9H7NO4 Molecular Weight (g/mol): 193.158 MDL Number: MFCD00007381 InChI Key: XMMRNCHTDONGRJ-ZZXKWVIFSA-N Synonym: 4-nitrocinnamic acid,3-4-nitrophenyl acrylic acid,p-nitrocinnamic acid,cinnamic acid, p-nitro,2-propenoic acid, 3-4-nitrophenyl,e-3-4-nitrophenyl acrylic acid,3-4-nitrophenyl propenoic acid,trans-4-nitrocinnamic acid,ccris 1665,2e-3-4-nitrophenyl prop-2-enoic acid PubChem CID: 737157 SMILES: C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-]
| PubChem CID | 737157 |
|---|---|
| CAS | 882-06-4 |
| Molecular Weight (g/mol) | 193.158 |
| MDL Number | MFCD00007381 |
| SMILES | C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-] |
| Synonym | 4-nitrocinnamic acid,3-4-nitrophenyl acrylic acid,p-nitrocinnamic acid,cinnamic acid, p-nitro,2-propenoic acid, 3-4-nitrophenyl,e-3-4-nitrophenyl acrylic acid,3-4-nitrophenyl propenoic acid,trans-4-nitrocinnamic acid,ccris 1665,2e-3-4-nitrophenyl prop-2-enoic acid |
| InChI Key | XMMRNCHTDONGRJ-ZZXKWVIFSA-N |
| Molecular Formula | C9H7NO4 |
3,5-Di-tert-butyl-4-hydroxycinnamic acid, predominantly trans, 97%
CAS: 22014-01-3 Molecular Formula: C17H24O3 Molecular Weight (g/mol): 276.38 MDL Number: MFCD00017291 InChI Key: CTYWXRDQWMRIIM-BQYQJAHWSA-N Synonym: 3-3,5-di-tert-butyl-4-hydroxyphenyl acrylic acid,unii-k7zj1m9j5t,k7zj1m9j5t,3,5-di-tert-butyl-4-hydroxycinnamic acid,3,5-di-t-butyl-4-hydroxycinnamic acid,3,5-di-tert-butyl-4-hydroxycinnamic acid, predominantly trans,2e-3-3,5-di-tert-butyl-4-hydroxyphenyl prop-2-enoic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl prop-2-enoic acid,2e-3-3,5-bis tert-butyl-4-hydroxyphenyl prop-2-enoic acid,2e-3-3,5-ditert-butyl-4-hydroxyphenyl acrylic acid PubChem CID: 689095 IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid SMILES: CC(C)(C)C1=CC(\C=C\C(O)=O)=CC(=C1O)C(C)(C)C
| PubChem CID | 689095 |
|---|---|
| CAS | 22014-01-3 |
| Molecular Weight (g/mol) | 276.38 |
| MDL Number | MFCD00017291 |
| SMILES | CC(C)(C)C1=CC(\C=C\C(O)=O)=CC(=C1O)C(C)(C)C |
| Synonym | 3-3,5-di-tert-butyl-4-hydroxyphenyl acrylic acid,unii-k7zj1m9j5t,k7zj1m9j5t,3,5-di-tert-butyl-4-hydroxycinnamic acid,3,5-di-t-butyl-4-hydroxycinnamic acid,3,5-di-tert-butyl-4-hydroxycinnamic acid, predominantly trans,2e-3-3,5-di-tert-butyl-4-hydroxyphenyl prop-2-enoic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl prop-2-enoic acid,2e-3-3,5-bis tert-butyl-4-hydroxyphenyl prop-2-enoic acid,2e-3-3,5-ditert-butyl-4-hydroxyphenyl acrylic acid |
| IUPAC Name | (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid |
| InChI Key | CTYWXRDQWMRIIM-BQYQJAHWSA-N |
| Molecular Formula | C17H24O3 |
4-Acetamidocinnamic acid, predominantly trans, 98%
CAS: 1918352 MDL Number: MFCD00016846 ChEBI: CHEBI:16388
| CAS | 1918352 |
|---|---|
| ChEBI | CHEBI:16388 |
| MDL Number | MFCD00016846 |
Tyrphostin C15
CAS: 149092-50-2 Molecular Formula: C19H15N3O3S2 Molecular Weight (g/mol): 397.47 MDL Number: MFCD01074971 InChI Key: KXDONFLNGBQLTN-UHFFFAOYSA-N Synonym: tyrphostin ag 825,tyrphostin c15,4-hydroxy-3-methoxy-5-benzothiazolylthiomethyl benzylidenecyanoacetamide,5-benzothiazol-2-yl thiomethyl-4-hydroxy-3-methoxybenzylidenecyanoacetamide,2e-3-3-1,3-benzothiazol-2-ylsulfanyl methyl-4-hydroxy-5-methoxyphenyl-2-cyanoprop-2-enamide,tocris-1555,biomolki_000008,biomolki2_000018,bmk1-b8,tyrphostin ag PubChem CID: 6091659 ChEBI: CHEBI:75405 IUPAC Name: 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide SMILES: COC1=CC(C=C(C#N)C(N)=O)=CC(CSC2=NC3=CC=CC=C3S2)=C1O
| PubChem CID | 6091659 |
|---|---|
| CAS | 149092-50-2 |
| Molecular Weight (g/mol) | 397.47 |
| ChEBI | CHEBI:75405 |
| MDL Number | MFCD01074971 |
| SMILES | COC1=CC(C=C(C#N)C(N)=O)=CC(CSC2=NC3=CC=CC=C3S2)=C1O |
| Synonym | tyrphostin ag 825,tyrphostin c15,4-hydroxy-3-methoxy-5-benzothiazolylthiomethyl benzylidenecyanoacetamide,5-benzothiazol-2-yl thiomethyl-4-hydroxy-3-methoxybenzylidenecyanoacetamide,2e-3-3-1,3-benzothiazol-2-ylsulfanyl methyl-4-hydroxy-5-methoxyphenyl-2-cyanoprop-2-enamide,tocris-1555,biomolki_000008,biomolki2_000018,bmk1-b8,tyrphostin ag |
| IUPAC Name | 3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide |
| InChI Key | KXDONFLNGBQLTN-UHFFFAOYSA-N |
| Molecular Formula | C19H15N3O3S2 |