
Phenylpropanoids and polyketides




















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Esculetin 98.0+%, TCI America™
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CAS: 305-01-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00006874 InChI Key: ILEDWLMCKZNDJK-UHFFFAOYSA-N Synonym: esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon PubChem CID: 5281416 ChEBI: CHEBI:490095 IUPAC Name: 6,7-dihydroxychromen-2-one SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O
PubChem CID | 5281416 |
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CAS | 305-01-1 |
Molecular Weight (g/mol) | 178.143 |
ChEBI | CHEBI:490095 |
MDL Number | MFCD00006874 |
SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O)O |
Synonym | esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon |
IUPAC Name | 6,7-dihydroxychromen-2-one |
InChI Key | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
Molecular Formula | C9H6O4 |
Naringenin 93.0+%, TCI America™
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CAS: 67604-48-2 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.256 MDL Number: MFCD00006844 InChI Key: FTVWIRXFELQLPI-UHFFFAOYSA-N Synonym: naringenin,5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,naringenine,4',5,7-trihydroxyflavanone,+/--naringenin,naringetol,salipurpol,--naringenin,narigenin,salipurol PubChem CID: 932 ChEBI: CHEBI:50202 IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
PubChem CID | 932 |
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CAS | 67604-48-2 |
Molecular Weight (g/mol) | 272.256 |
ChEBI | CHEBI:50202 |
MDL Number | MFCD00006844 |
SMILES | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
Synonym | naringenin,5,7-dihydroxy-2-4-hydroxyphenyl chroman-4-one,naringenine,4',5,7-trihydroxyflavanone,+/--naringenin,naringetol,salipurpol,--naringenin,narigenin,salipurol |
IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
InChI Key | FTVWIRXFELQLPI-UHFFFAOYSA-N |
Molecular Formula | C15H12O5 |
7-Ethoxy-4-methylcoumarin 97.0+%, TCI America™
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CAS: 87-05-8 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.23 MDL Number: MFCD00016971 InChI Key: NKRISXMDKXBVRJ-UHFFFAOYSA-N Synonym: 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one PubChem CID: 66595 IUPAC Name: 7-ethoxy-4-methyl-2H-chromen-2-one SMILES: CCOC1=CC=C2C(C)=CC(=O)OC2=C1
PubChem CID | 66595 |
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CAS | 87-05-8 |
Molecular Weight (g/mol) | 204.23 |
MDL Number | MFCD00016971 |
SMILES | CCOC1=CC=C2C(C)=CC(=O)OC2=C1 |
Synonym | 7-ethoxy-4-methylcoumarin,7-ethoxy-4-methyl-2h-chromen-2-one,4-methyl-7-ethoxycoumarin,2h-1-benzopyran-2-one, 7-ethoxy-4-methyl,unii-zlv1s0nnzh,coumarin, 7-ethoxy-4-methyl,zlv1s0nnzh,7-ethoxy-4-methyl-chromen-2-one,coumarin, 7-ethoxy-4-methyl-8ci,7-ethoxy-4-methyl-2h-1-benzopyran-2-one |
IUPAC Name | 7-ethoxy-4-methyl-2H-chromen-2-one |
InChI Key | NKRISXMDKXBVRJ-UHFFFAOYSA-N |
Molecular Formula | C12H12O3 |
trans-Cinnamic Acid 98.0+%, TCI America™
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CAS: 140-10-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00004369 InChI Key: WBYWAXJHAXSJNI-VOTSOKGWSA-N Synonym: cinnamic acid,trans-cinnamic acid,e-cinnamic acid,3-phenylacrylic acid,trans-3-phenylacrylic acid,zimtsaeure,2e-3-phenylprop-2-enoic acid,3-phenylprop-2-enoic acid,3-phenylpropenoic acid PubChem CID: 444539 ChEBI: CHEBI:35697 IUPAC Name: (E)-3-phenylprop-2-enoic acid SMILES: C1=CC=C(C=C1)C=CC(=O)O
PubChem CID | 444539 |
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CAS | 140-10-3 |
Molecular Weight (g/mol) | 148.161 |
ChEBI | CHEBI:35697 |
MDL Number | MFCD00004369 |
SMILES | C1=CC=C(C=C1)C=CC(=O)O |
Synonym | cinnamic acid,trans-cinnamic acid,e-cinnamic acid,3-phenylacrylic acid,trans-3-phenylacrylic acid,zimtsaeure,2e-3-phenylprop-2-enoic acid,3-phenylprop-2-enoic acid,3-phenylpropenoic acid |
IUPAC Name | (E)-3-phenylprop-2-enoic acid |
InChI Key | WBYWAXJHAXSJNI-VOTSOKGWSA-N |
Molecular Formula | C9H8O2 |
Umbelliferone 98.0+%, TCI America™
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CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC Name: 7-hydroxy-2H-chromen-2-one SMILES: OC1=CC=C2C=CC(=O)OC2=C1
PubChem CID | 5281426 |
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CAS | 93-35-6 |
Molecular Weight (g/mol) | 162.14 |
ChEBI | CHEBI:27510 |
MDL Number | MFCD00006878 |
SMILES | OC1=CC=C2C=CC(=O)OC2=C1 |
Synonym | 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon |
IUPAC Name | 7-hydroxy-2H-chromen-2-one |
InChI Key | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
Molecular Formula | C9H6O3 |
Disodium 4,4'-Bis(2-sulfonatostyryl)biphenyl 97.0+%, TCI America™
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CAS: 27344-41-8 Molecular Formula: C28H20Na2O6S2 Molecular Weight (g/mol): 562.56 MDL Number: MFCD00318874,MFCD00318874 InChI Key: PMPJQLCPEQFEJW-GNTLFSRWSA-L PubChem CID: 87075690 IUPAC Name: disodium 2-[(1Z)-2-{4'-[(1Z)-2-(2-sulfonatophenyl)ethenyl]-[1,1'-biphenyl]-4-yl}ethenyl]benzene-1-sulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1\C=C/C1=CC=C(C=C1)C1=CC=C(\C=C/C2=CC=CC=C2S([O-])(=O)=O)C=C1
PubChem CID | 87075690 |
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CAS | 27344-41-8 |
Molecular Weight (g/mol) | 562.56 |
MDL Number | MFCD00318874,MFCD00318874 |
SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC=C1\C=C/C1=CC=C(C=C1)C1=CC=C(\C=C/C2=CC=CC=C2S([O-])(=O)=O)C=C1 |
IUPAC Name | disodium 2-[(1Z)-2-{4'-[(1Z)-2-(2-sulfonatophenyl)ethenyl]-[1,1'-biphenyl]-4-yl}ethenyl]benzene-1-sulfonate |
InChI Key | PMPJQLCPEQFEJW-GNTLFSRWSA-L |
Molecular Formula | C28H20Na2O6S2 |
Benzoin 98.0+%, TCI America™
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CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethan-1-one SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
PubChem CID | 8400 |
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CAS | 119-53-9 |
Molecular Weight (g/mol) | 212.25 |
ChEBI | CHEBI:17682 |
MDL Number | MFCD00004496 |
SMILES | OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone |
IUPAC Name | 2-hydroxy-1,2-diphenylethan-1-one |
InChI Key | ISAOCJYIOMOJEB-UHFFFAOYNA-N |
Molecular Formula | C14H12O2 |
Stilbene Yellow, Spectrum™ Chemical
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CAS: 1325-37-7
CAS | 1325-37-7 |
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Paraffin, NF, Spectrum™ Chemical
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CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
CAS | 8002-74-2 |
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Molecular Weight (g/mol) | 341.45 |
SMILES | CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1 |
IUPAC Name | 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one |
InChI Key | JWHAUXFOSRPERK-UHFFFAOYNA-N |
Molecular Formula | C21H27NO3 |
Wax Paraffin, Pastilles, Spectrum™ Chemical
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CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
CAS | 8002-74-2 |
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Molecular Weight (g/mol) | 341.45 |
SMILES | CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1 |
IUPAC Name | 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one |
InChI Key | JWHAUXFOSRPERK-UHFFFAOYNA-N |
Molecular Formula | C21H27NO3 |
Ibuprofen, USP, 97-103%, Spectrum™ Chemical
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CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
CAS | 15687-27-1 |
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Molecular Weight (g/mol) | 206.29 |
MDL Number | MFCD00010393 |
SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
InChI Key | HEFNNWSXXWATRW-UHFFFAOYNA-N |
Molecular Formula | C13H18O2 |
phyproof™ trans-Cinnamic acid, ≥98% (HPLC), MilliporeSigma™ Supelco™
This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
Avobenzone, 97%, Spectrum™ Chemical
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CAS: 70356-09-1 Molecular Formula: C20H22O3 Molecular Weight (g/mol): 310.39 MDL Number: MFCD00210252 InChI Key: XNEFYCZVKIDDMS-UHFFFAOYSA-N IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C
CAS | 70356-09-1 |
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Molecular Weight (g/mol) | 310.39 |
MDL Number | MFCD00210252 |
SMILES | COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C |
IUPAC Name | 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione |
InChI Key | XNEFYCZVKIDDMS-UHFFFAOYSA-N |
Molecular Formula | C20H22O3 |
Mineral Oil, Contains Vitamin E as a stabilizer in the range of 10 to 100ppm, U.S.P., J.T. Baker™
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 |
Paraffin Oil, BAKER™, J.T. Baker™
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 |