Phenylpropanoids and polyketides
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4-Cyanophenyl 4-(3-Butenyloxy)benzoate 97.0+%, TCI America™
CAS: 114482-57-4 Molecular Formula: C18H15NO3 Molecular Weight (g/mol): 293.322 MDL Number: MFCD00191384 InChI Key: XGRKLNHEYFRXFW-UHFFFAOYSA-N Synonym: 4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester PubChem CID: 600247 IUPAC Name: (4-cyanophenyl) 4-but-3-enoxybenzoate SMILES: C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
| PubChem CID | 600247 |
|---|---|
| CAS | 114482-57-4 |
| Molecular Weight (g/mol) | 293.322 |
| MDL Number | MFCD00191384 |
| SMILES | C=CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| Synonym | 4-(3-Butenyloxy)benzoic Acid 4-Cyanophenyl Ester |
| IUPAC Name | (4-cyanophenyl) 4-but-3-enoxybenzoate |
| InChI Key | XGRKLNHEYFRXFW-UHFFFAOYSA-N |
| Molecular Formula | C18H15NO3 |
2-Carboxyphenyl Salicylate 98.0+%, TCI America™
CAS: 552-94-3 Molecular Formula: C14H10O5 Molecular Weight (g/mol): 258.229 MDL Number: MFCD00020252 InChI Key: WVYADZUPLLSGPU-UHFFFAOYSA-N Synonym: salsalate,sasapyrine,salicylsalicylic acid,disalicylic acid,disalcid,sasapyrinum,saloxium,2-carboxyphenyl salicylate,salina,diacesal PubChem CID: 5161 ChEBI: CHEBI:9014 IUPAC Name: 2-(2-hydroxybenzoyl)oxybenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O
| PubChem CID | 5161 |
|---|---|
| CAS | 552-94-3 |
| Molecular Weight (g/mol) | 258.229 |
| ChEBI | CHEBI:9014 |
| MDL Number | MFCD00020252 |
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O |
| Synonym | salsalate,sasapyrine,salicylsalicylic acid,disalicylic acid,disalcid,sasapyrinum,saloxium,2-carboxyphenyl salicylate,salina,diacesal |
| IUPAC Name | 2-(2-hydroxybenzoyl)oxybenzoic acid |
| InChI Key | WVYADZUPLLSGPU-UHFFFAOYSA-N |
| Molecular Formula | C14H10O5 |
4-tert-Butylphenyl Salicylate 98.0+%, TCI America™
CAS: 87-18-3 Molecular Formula: C17H18O3 Molecular Weight (g/mol): 270.328 MDL Number: MFCD00045759 InChI Key: DBOSBRHMHBENLP-UHFFFAOYSA-N Synonym: Salicylic Acid 4-tert-Butylphenyl Ester PubChem CID: 66597 IUPAC Name: (4-tert-butylphenyl) 2-hydroxybenzoate SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
| PubChem CID | 66597 |
|---|---|
| CAS | 87-18-3 |
| Molecular Weight (g/mol) | 270.328 |
| MDL Number | MFCD00045759 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| Synonym | Salicylic Acid 4-tert-Butylphenyl Ester |
| IUPAC Name | (4-tert-butylphenyl) 2-hydroxybenzoate |
| InChI Key | DBOSBRHMHBENLP-UHFFFAOYSA-N |
| Molecular Formula | C17H18O3 |
Diphenyl Isophthalate 99.0+%, TCI America™
CAS: 744-45-6 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.328 MDL Number: MFCD00046051 InChI Key: FHESUNXRPBHDQM-UHFFFAOYSA-N Synonym: diphenyl isophthalate,diphenyl m-phthalate,diphenylisophthalate,unii-wh4w31qij8,1,3-benzenedicarboxylic acid, diphenyl ester,isophthalic acid diphenyl ester,isophthalic acid, diphenyl ester,wh4w31qij8,1,3-benzenedicarboxylic acid, 1,3-diphenyl ester,1,3-diphenyl benzene-1,3-dicarboxylate PubChem CID: 69779 IUPAC Name: diphenyl benzene-1,3-dicarboxylate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3
| PubChem CID | 69779 |
|---|---|
| CAS | 744-45-6 |
| Molecular Weight (g/mol) | 318.328 |
| MDL Number | MFCD00046051 |
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3 |
| Synonym | diphenyl isophthalate,diphenyl m-phthalate,diphenylisophthalate,unii-wh4w31qij8,1,3-benzenedicarboxylic acid, diphenyl ester,isophthalic acid diphenyl ester,isophthalic acid, diphenyl ester,wh4w31qij8,1,3-benzenedicarboxylic acid, 1,3-diphenyl ester,1,3-diphenyl benzene-1,3-dicarboxylate |
| IUPAC Name | diphenyl benzene-1,3-dicarboxylate |
| InChI Key | FHESUNXRPBHDQM-UHFFFAOYSA-N |
| Molecular Formula | C20H14O4 |
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 |
|---|---|
| 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 |
4-Cyanophenyl 4-Heptylbenzoate 98.0+%, TCI America™
CAS: 38690-76-5 Molecular Formula: C21H23NO2 Molecular Weight (g/mol): 321.42 MDL Number: MFCD00001817 InChI Key: ZWAUTNYPKHVAEZ-UHFFFAOYSA-N Synonym: 4-Heptylbenzoic Acid 4-Cyanophenyl Ester PubChem CID: 170097 IUPAC Name: (4-cyanophenyl) 4-heptylbenzoate SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
| PubChem CID | 170097 |
|---|---|
| CAS | 38690-76-5 |
| Molecular Weight (g/mol) | 321.42 |
| MDL Number | MFCD00001817 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N |
| Synonym | 4-Heptylbenzoic Acid 4-Cyanophenyl Ester |
| IUPAC Name | (4-cyanophenyl) 4-heptylbenzoate |
| InChI Key | ZWAUTNYPKHVAEZ-UHFFFAOYSA-N |
| Molecular Formula | C21H23NO2 |
4-Nitrocinnamyl Alcohol 98.0+%, TCI America™
CAS: 1504-63-8 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00017045 InChI Key: LGXXEDSIJZHDBN-OWOJBTEDSA-N Synonym: 4-nitrocinnamyl alcohol,2e-3-4-nitrophenyl prop-2-en-1-ol,e-3-4-nitrophenyl prop-2-en-1-ol,p-nitrocinnamyl alcohol,3-4-nitrophenyl prop-2-en-1-ol,2-propen-1-ol, 3-4-nitrophenyl,2-propen-1-ol, 3-p-nitrophenyl,3-p-nitrophenyl allyl alcohol,3-4-nitrophenyl-2-propenol PubChem CID: 5462894 IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-en-1-ol SMILES: C1=CC(=CC=C1C=CCO)[N+](=O)[O-]
| PubChem CID | 5462894 |
|---|---|
| CAS | 1504-63-8 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00017045 |
| SMILES | C1=CC(=CC=C1C=CCO)[N+](=O)[O-] |
| Synonym | 4-nitrocinnamyl alcohol,2e-3-4-nitrophenyl prop-2-en-1-ol,e-3-4-nitrophenyl prop-2-en-1-ol,p-nitrocinnamyl alcohol,3-4-nitrophenyl prop-2-en-1-ol,2-propen-1-ol, 3-4-nitrophenyl,2-propen-1-ol, 3-p-nitrophenyl,3-p-nitrophenyl allyl alcohol,3-4-nitrophenyl-2-propenol |
| IUPAC Name | (E)-3-(4-nitrophenyl)prop-2-en-1-ol |
| InChI Key | LGXXEDSIJZHDBN-OWOJBTEDSA-N |
| Molecular Formula | C9H9NO3 |
2-Methyl-3-phenyl-2-propen-1-ol 95.0+%, TCI America™
CAS: 1504-55-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00004738 InChI Key: LLNAMUJRIZIXHF-VQHVLOKHSA-N Synonym: 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol PubChem CID: 6393846 IUPAC Name: (E)-2-methyl-3-phenylprop-2-en-1-ol SMILES: CC(=CC1=CC=CC=C1)CO
| PubChem CID | 6393846 |
|---|---|
| CAS | 1504-55-8 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00004738 |
| SMILES | CC(=CC1=CC=CC=C1)CO |
| Synonym | 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol |
| IUPAC Name | (E)-2-methyl-3-phenylprop-2-en-1-ol |
| InChI Key | LLNAMUJRIZIXHF-VQHVLOKHSA-N |
| Molecular Formula | C10H12O |
3-Hydroxyflavone 98.0+%, TCI America™
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-phenyl-4H-chromen-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-phenyl-4H-chromen-4-one |
| InChI Key | HVQAJTFOCKOKIN-UHFFFAOYSA-N |
| Molecular Formula | C15H10O3 |
6-Methoxyflavone 99.0+%, TCI America™
CAS: 26964-24-9 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD00017322 InChI Key: XZQLSABETMKIGG-UHFFFAOYSA-N PubChem CID: 147157 IUPAC Name: 6-methoxy-2-phenylchromen-4-one SMILES: COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
| PubChem CID | 147157 |
|---|---|
| CAS | 26964-24-9 |
| Molecular Weight (g/mol) | 252.269 |
| MDL Number | MFCD00017322 |
| SMILES | COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3 |
| IUPAC Name | 6-methoxy-2-phenylchromen-4-one |
| InChI Key | XZQLSABETMKIGG-UHFFFAOYSA-N |
| Molecular Formula | C16H12O3 |
Myricetin 97.0+%, TCI America™
CAS: 529-44-2 Molecular Formula: C15H10O8 Molecular Weight (g/mol): 318.24 MDL Number: MFCD00006827 InChI Key: IKMDFBPHZNJCSN-UHFFFAOYSA-N Synonym: myricetin,cannabiscetin,myricetol,myricitin,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-chromen-4-one,3,3',4',5,5',7-hexahydroxyflavone,3,5,7,3',4',5'-hexahydroxyflavone,unii-76xc01ftoj,ccris 5838,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-1-benzopyran-4-one PubChem CID: 5281672 ChEBI: CHEBI:18152 IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1
| PubChem CID | 5281672 |
|---|---|
| CAS | 529-44-2 |
| Molecular Weight (g/mol) | 318.24 |
| ChEBI | CHEBI:18152 |
| MDL Number | MFCD00006827 |
| SMILES | OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1 |
| Synonym | myricetin,cannabiscetin,myricetol,myricitin,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-chromen-4-one,3,3',4',5,5',7-hexahydroxyflavone,3,5,7,3',4',5'-hexahydroxyflavone,unii-76xc01ftoj,ccris 5838,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl-4h-1-benzopyran-4-one |
| IUPAC Name | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one |
| InChI Key | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
| Molecular Formula | C15H10O8 |
Baicalein 98.0+%, TCI America™
CAS: 491-67-8 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00017459 InChI Key: FXNFHKRTJBSTCS-UHFFFAOYSA-N Synonym: baicalein,5,6,7-trihydroxyflavone,noroxylin,5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one,biacalein,baicelein,chembl8260,4h-1-benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl,5,7-trihydroxyflavone,5,6,7-trihydroxy-2-phenyl-chromen-4-one PubChem CID: 5281605 ChEBI: CHEBI:2979 IUPAC Name: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one SMILES: OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1
| PubChem CID | 5281605 |
|---|---|
| CAS | 491-67-8 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:2979 |
| MDL Number | MFCD00017459 |
| SMILES | OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1 |
| Synonym | baicalein,5,6,7-trihydroxyflavone,noroxylin,5,6,7-trihydroxy-2-phenyl-4h-chromen-4-one,biacalein,baicelein,chembl8260,4h-1-benzopyran-4-one, 5,6,7-trihydroxy-2-phenyl,5,7-trihydroxyflavone,5,6,7-trihydroxy-2-phenyl-chromen-4-one |
| IUPAC Name | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one |
| InChI Key | FXNFHKRTJBSTCS-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
Sodium Flavonol-2'-sulfonate Hydrate 98.0+%, TCI America™
CAS: 77125-87-2 Molecular Formula: C15H9NaO6S Molecular Weight (g/mol): 340.281 MDL Number: MFCD00059757 InChI Key: BAUFCGCZFJQCFG-UHFFFAOYSA-M Synonym: 3-Hydroxyflavone-2′C-sulfonic Acid Sodium Salt, Flavonol-2′C-sulfonic Acid Sodium Salt PubChem CID: 44630295 IUPAC Name: sodium;2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+]
| PubChem CID | 44630295 |
|---|---|
| CAS | 77125-87-2 |
| Molecular Weight (g/mol) | 340.281 |
| MDL Number | MFCD00059757 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CC=C3S(=O)(=O)[O-])O.[Na+] |
| Synonym | 3-Hydroxyflavone-2′C-sulfonic Acid Sodium Salt, Flavonol-2′C-sulfonic Acid Sodium Salt |
| IUPAC Name | sodium;2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate |
| InChI Key | BAUFCGCZFJQCFG-UHFFFAOYSA-M |
| Molecular Formula | C15H9NaO6S |
3'-Hydroxyflavanone 98.0+%, TCI America™
CAS: 92496-65-6 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.258 MDL Number: MFCD00017738 InChI Key: JVSPTYZZNUXJHN-UHFFFAOYSA-N PubChem CID: 3534982 ChEBI: CHEBI:48022 IUPAC Name: 2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O
| PubChem CID | 3534982 |
|---|---|
| CAS | 92496-65-6 |
| Molecular Weight (g/mol) | 240.258 |
| ChEBI | CHEBI:48022 |
| MDL Number | MFCD00017738 |
| SMILES | C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O |
| IUPAC Name | 2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| InChI Key | JVSPTYZZNUXJHN-UHFFFAOYSA-N |
| Molecular Formula | C15H12O3 |
Diosmin 85.0+%, TCI America™
CAS: 520-27-4 Molecular Formula: C28H32O15 Molecular Weight (g/mol): 608.549 MDL Number: MFCD00009772 InChI Key: GZSOSUNBTXMUFQ-YFAPSIMESA-N Synonym: diosmin,barosmin,diosmine,venosmine,diosmil,flebosten,daflon,diosimin,diosminum,tovene PubChem CID: 5281613 ChEBI: CHEBI:4631 IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
| PubChem CID | 5281613 |
|---|---|
| CAS | 520-27-4 |
| Molecular Weight (g/mol) | 608.549 |
| ChEBI | CHEBI:4631 |
| MDL Number | MFCD00009772 |
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
| Synonym | diosmin,barosmin,diosmine,venosmine,diosmil,flebosten,daflon,diosimin,diosminum,tovene |
| IUPAC Name | 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| InChI Key | GZSOSUNBTXMUFQ-YFAPSIMESA-N |
| Molecular Formula | C28H32O15 |