Phenylpropanoids and polyketides
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Cinnamyl alcohol, 98% trans
CAS: 104-54-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO
| PubChem CID | 5315892 |
|---|---|
| CAS | 104-54-1 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:33227 |
| MDL Number | MFCD00002921 |
| SMILES | C1=CC=C(C=C1)C=CCO |
| Synonym | cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol |
| IUPAC Name | (E)-3-phenylprop-2-en-1-ol |
| InChI Key | OOCCDEMITAIZTP-QPJJXVBHSA-N |
| Molecular Formula | C9H10O |
Cinnamyl alcohol, 98%
CAS: 104-54-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00002921 InChI Key: OOCCDEMITAIZTP-QPJJXVBHSA-N Synonym: cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol PubChem CID: 5315892 ChEBI: CHEBI:33227 IUPAC Name: (E)-3-phenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CCO
| PubChem CID | 5315892 |
|---|---|
| CAS | 104-54-1 |
| Molecular Weight (g/mol) | 134.178 |
| ChEBI | CHEBI:33227 |
| MDL Number | MFCD00002921 |
| SMILES | C1=CC=C(C=C1)C=CCO |
| Synonym | cinnamyl alcohol,cinnamic alcohol,3-phenyl-2-propen-1-ol,3-phenylprop-2-en-1-ol,zimtalcohol,styryl carbinol,e-3-phenylprop-2-en-1-ol,3-phenylallyl alcohol,trans-cinnamyl alcohol,styryl alcohol |
| IUPAC Name | (E)-3-phenylprop-2-en-1-ol |
| InChI Key | OOCCDEMITAIZTP-QPJJXVBHSA-N |
| Molecular Formula | C9H10O |
3-[4-(Benzyloxy)phenyl]propionic acid, 96%
CAS: 50463-48-4 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD01570264 InChI Key: QTSAUVQZNADEKS-UHFFFAOYSA-N Synonym: 3-4-benzyloxyphenyl propionic acid,3-4-benzyloxy phenyl propanoic acid,3-4-benzyloxy phenyl propionic acid,benzyloxyphenylpropanoic acid,3-4-benzyloxyphenyl propanoic acid,3-4-benzyloxy-phenyl-propionic acid,benzenepropanoic acid, 4-phenylmethoxy,maybridge3_003480,4-benzyloxy benzenepropanoic acid PubChem CID: 561372 IUPAC Name: 3-(4-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)O
| PubChem CID | 561372 |
|---|---|
| CAS | 50463-48-4 |
| Molecular Weight (g/mol) | 256.301 |
| MDL Number | MFCD01570264 |
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)CCC(=O)O |
| Synonym | 3-4-benzyloxyphenyl propionic acid,3-4-benzyloxy phenyl propanoic acid,3-4-benzyloxy phenyl propionic acid,benzyloxyphenylpropanoic acid,3-4-benzyloxyphenyl propanoic acid,3-4-benzyloxy-phenyl-propionic acid,benzenepropanoic acid, 4-phenylmethoxy,maybridge3_003480,4-benzyloxy benzenepropanoic acid |
| IUPAC Name | 3-(4-phenylmethoxyphenyl)propanoic acid |
| InChI Key | QTSAUVQZNADEKS-UHFFFAOYSA-N |
| Molecular Formula | C16H16O3 |
3-Hydroxyflavone, 98+%
CAS: 577-85-5 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.24 MDL Number: MFCD00006832 InChI Key: HVQAJTFOCKOKIN-UHFFFAOYSA-N Synonym: 3-hydroxyflavone,flavonol,3-hydroxy-2-phenyl-4h-chromen-4-one,flavon-3-ol,4h-1-benzopyran-4-one, 3-hydroxy-2-phenyl,flavone, 3-hydroxy,3-hydroxy-2-phenylchromone,unii-ztg9lss5qh,flavone,3-hydroxy,3-hf PubChem CID: 11349 ChEBI: CHEBI:5078 IUPAC Name: 3-hydroxy-2-phenylchromen-4-one SMILES: OC1=C(OC2=CC=CC=C2C1=O)C1=CC=CC=C1
| PubChem CID | 11349 |
|---|---|
| CAS | 577-85-5 |
| Molecular Weight (g/mol) | 238.24 |
| ChEBI | CHEBI:5078 |
| MDL Number | MFCD00006832 |
| SMILES | OC1=C(OC2=CC=CC=C2C1=O)C1=CC=CC=C1 |
| Synonym | 3-hydroxyflavone,flavonol,3-hydroxy-2-phenyl-4h-chromen-4-one,flavon-3-ol,4h-1-benzopyran-4-one, 3-hydroxy-2-phenyl,flavone, 3-hydroxy,3-hydroxy-2-phenylchromone,unii-ztg9lss5qh,flavone,3-hydroxy,3-hf |
| IUPAC Name | 3-hydroxy-2-phenylchromen-4-one |
| InChI Key | HVQAJTFOCKOKIN-UHFFFAOYSA-N |
| Molecular Formula | C15H10O3 |
Thermo Scientific Chemicals Fisetin
CAS: 528-48-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one SMILES: OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
| CAS | 528-48-3 |
|---|---|
| Molecular Weight (g/mol) | 286.24 |
| SMILES | OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1 |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one |
| InChI Key | XHEFDIBZLJXQHF-UHFFFAOYSA-N |
| Molecular Formula | C15H10O6 |
6-Hydroxyflavanone, 98+%
CAS: 4250-77-5 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.258 MDL Number: MFCD00017485 InChI Key: XYHWPQUEOOBIOW-UHFFFAOYSA-N Synonym: 6-hydroxyflavanone,6-hydroxy-2-phenylchroman-4-one,6-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,6-hydroxy-flavanone,4h-1-benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl,6-hydroxy-2-phenyl-chroman-4-one,flavanone, 6-hydroxy,+/--6-hydroxyflavanone,acmc-209jpu PubChem CID: 2734580 ChEBI: CHEBI:34471 IUPAC Name: 6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3
| PubChem CID | 2734580 |
|---|---|
| CAS | 4250-77-5 |
| Molecular Weight (g/mol) | 240.258 |
| ChEBI | CHEBI:34471 |
| MDL Number | MFCD00017485 |
| SMILES | C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3 |
| Synonym | 6-hydroxyflavanone,6-hydroxy-2-phenylchroman-4-one,6-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,6-hydroxy-flavanone,4h-1-benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl,6-hydroxy-2-phenyl-chroman-4-one,flavanone, 6-hydroxy,+/--6-hydroxyflavanone,acmc-209jpu |
| IUPAC Name | 6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| InChI Key | XYHWPQUEOOBIOW-UHFFFAOYSA-N |
| Molecular Formula | C15H12O3 |
3,3',4',7-Tetrahydroxyflavone, 96%
CAS: 528-48-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 MDL Number: MFCD00006829 InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N Synonym: fisetin,viset,5-desoxyquercetin,fustel,2-3,4-dihydroxyphenyl-3,7-dihydroxy-4h-chromen-4-one,fisetholz,superfustel,cotinin,fietin,fustet PubChem CID: 5281614 ChEBI: CHEBI:42567 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
| PubChem CID | 5281614 |
|---|---|
| CAS | 528-48-3 |
| Molecular Weight (g/mol) | 286.239 |
| ChEBI | CHEBI:42567 |
| MDL Number | MFCD00006829 |
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O |
| Synonym | fisetin,viset,5-desoxyquercetin,fustel,2-3,4-dihydroxyphenyl-3,7-dihydroxy-4h-chromen-4-one,fisetholz,superfustel,cotinin,fietin,fustet |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one |
| InChI Key | XHEFDIBZLJXQHF-UHFFFAOYSA-N |
| Molecular Formula | C15H10O6 |
Thermo Scientific Chemicals Kaempferol, 97%
CAS: 520-18-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 MDL Number: MFCD00016938 InChI Key: IYRMWMYZSQPJKC-UHFFFAOYSA-N Synonym: kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol PubChem CID: 5280863 ChEBI: CHEBI:28499 IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
| PubChem CID | 5280863 |
|---|---|
| CAS | 520-18-3 |
| Molecular Weight (g/mol) | 286.24 |
| ChEBI | CHEBI:28499 |
| MDL Number | MFCD00016938 |
| SMILES | OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 |
| Synonym | kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol |
| IUPAC Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| InChI Key | IYRMWMYZSQPJKC-UHFFFAOYSA-N |
| Molecular Formula | C15H10O6 |
o-Nitrocinnamaldehyde, 98%
CAS: 1466-88-2 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00007188 InChI Key: VMSMELHEXDVEDE-HWKANZROSA-N Synonym: 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775 PubChem CID: 5367122 IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-]
| PubChem CID | 5367122 |
|---|---|
| CAS | 1466-88-2 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00007188 |
| SMILES | C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-] |
| Synonym | 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775 |
| IUPAC Name | (E)-3-(2-nitrophenyl)prop-2-enal |
| InChI Key | VMSMELHEXDVEDE-HWKANZROSA-N |
| Molecular Formula | C9H7NO3 |
4-Cyanophenyl 4-n-hexylbenzoate, 99%
CAS: 50793-85-6 Molecular Formula: C20H21NO2 Molecular Weight (g/mol): 307.39 MDL Number: MFCD00600506 InChI Key: DEUWEGPRKHPNKB-UHFFFAOYSA-N Synonym: benzoic acid, 4-hexyl-, 4-cyanophenyl ester,4-cyanophenyl 4-n-hexylbenzoate,p-cyanophenyl p-hexylbenzoate,4-cyanophenyl 4-hexylbenzoate,4-hexylbenzoic acid 4-cyanophenyl,4-n-hexylbenzoic acid 4-cyanophenyl ester PubChem CID: 170907 IUPAC Name: (4-cyanophenyl) 4-hexylbenzoate SMILES: CCCCCCC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N
| PubChem CID | 170907 |
|---|---|
| CAS | 50793-85-6 |
| Molecular Weight (g/mol) | 307.39 |
| MDL Number | MFCD00600506 |
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C#N |
| Synonym | benzoic acid, 4-hexyl-, 4-cyanophenyl ester,4-cyanophenyl 4-n-hexylbenzoate,p-cyanophenyl p-hexylbenzoate,4-cyanophenyl 4-hexylbenzoate,4-hexylbenzoic acid 4-cyanophenyl,4-n-hexylbenzoic acid 4-cyanophenyl ester |
| IUPAC Name | (4-cyanophenyl) 4-hexylbenzoate |
| InChI Key | DEUWEGPRKHPNKB-UHFFFAOYSA-N |
| Molecular Formula | C20H21NO2 |
Pentafluorophenyl 4-morpholinobenzoate, 97%, Thermo Scientific™
CAS: 921938-51-4 Molecular Formula: C17H12F5NO3 Molecular Weight (g/mol): 373.28 MDL Number: MFCD09817462 InChI Key: UJYQDNSLPIRXRT-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229462 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F
| PubChem CID | 24229462 |
|---|---|
| CAS | 921938-51-4 |
| Molecular Weight (g/mol) | 373.28 |
| MDL Number | MFCD09817462 |
| SMILES | FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F |
| Synonym | pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate |
| InChI Key | UJYQDNSLPIRXRT-UHFFFAOYSA-N |
| Molecular Formula | C17H12F5NO3 |
Pentafluorophenyl 3-(pyrid-2-yloxy)benzoate, 97%, Thermo Scientific™
CAS: 921938-61-6 Molecular Formula: C18H8F5NO3 Molecular Weight (g/mol): 381.258 MDL Number: MFCD09064956 InChI Key: LKCOLTBNDUOLEF-UHFFFAOYSA-N Synonym: pentafluorophenyl 3-pyrid-2-yloxy benzoate,pentafluorophenyl 3-pyridin-2-yloxy benzoate,pentafluorophenyl 3-pyridin-2-yl oxy benzoate,2,3,4,5,6-pentafluorophenyl 3-pyridin-2-yloxy benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-pyridin-2-yloxybenzoate,3-2-pyridinyloxy benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229506 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-pyridin-2-yloxybenzoate SMILES: C1=CC=NC(=C1)OC2=CC=CC(=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
| PubChem CID | 24229506 |
|---|---|
| CAS | 921938-61-6 |
| Molecular Weight (g/mol) | 381.258 |
| MDL Number | MFCD09064956 |
| SMILES | C1=CC=NC(=C1)OC2=CC=CC(=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F |
| Synonym | pentafluorophenyl 3-pyrid-2-yloxy benzoate,pentafluorophenyl 3-pyridin-2-yloxy benzoate,pentafluorophenyl 3-pyridin-2-yl oxy benzoate,2,3,4,5,6-pentafluorophenyl 3-pyridin-2-yloxy benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-pyridin-2-yloxybenzoate,3-2-pyridinyloxy benzoic acid 2,3,4,5,6-pentafluorophenyl ester |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 3-pyridin-2-yloxybenzoate |
| InChI Key | LKCOLTBNDUOLEF-UHFFFAOYSA-N |
| Molecular Formula | C18H8F5NO3 |
3-(4-Bromophenyl)propionic acid, 97%, Thermo Scientific Chemicals
CAS: 1643-30-7 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br
| PubChem CID | 2735609 |
|---|---|
| CAS | 1643-30-7 |
| MDL Number | MFCD01310793 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Br |
| Synonym | 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm |
| IUPAC Name | 3-(4-bromophenyl)propanoic acid |
| InChI Key | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
Hydrocinnamic acid, 99%
CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O
| PubChem CID | 107 |
|---|---|
| CAS | 501-52-0 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:28631 |
| MDL Number | MFCD00002771 |
| SMILES | C1=CC=C(C=C1)CCC(=O)O |
| Synonym | hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid |
| IUPAC Name | 3-phenylpropanoic acid |
| InChI Key | XMIIGOLPHOKFCH-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |