Phenylpropanoids and polyketides
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Coniferyl alcohol, 98%
CAS: 458-35-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00002922 InChI Key: JMFRWRFFLBVWSI-NSCUHMNNSA-N Synonym: coniferyl alcohol,coniferol,coniferylalcohol,4-3-hydroxyprop-1-en-1-yl-2-methoxyphenol,gamma-hydroxyisoeugenol,trans-coniferyl alcohol,e-coniferyl alcohol,4-3-hydroxy-1-propenyl-2-methoxyphenol,3-4-hydroxy-3-methoxyphenyl-2-propen-1-ol,4-1e-3-hydroxyprop-1-en-1-yl-2-methoxyphenol PubChem CID: 1549095 ChEBI: CHEBI:17745 SMILES: COC1=CC(\C=C\CO)=CC=C1O
| PubChem CID | 1549095 |
|---|---|
| CAS | 458-35-5 |
| Molecular Weight (g/mol) | 180.20 |
| ChEBI | CHEBI:17745 |
| MDL Number | MFCD00002922 |
| SMILES | COC1=CC(\C=C\CO)=CC=C1O |
| Synonym | coniferyl alcohol,coniferol,coniferylalcohol,4-3-hydroxyprop-1-en-1-yl-2-methoxyphenol,gamma-hydroxyisoeugenol,trans-coniferyl alcohol,e-coniferyl alcohol,4-3-hydroxy-1-propenyl-2-methoxyphenol,3-4-hydroxy-3-methoxyphenyl-2-propen-1-ol,4-1e-3-hydroxyprop-1-en-1-yl-2-methoxyphenol |
| InChI Key | JMFRWRFFLBVWSI-NSCUHMNNSA-N |
| Molecular Formula | C10H12O3 |
Coumarin-6-sulfonyl chloride, 97%
CAS: 10543-42-7 Molecular Formula: C9H5ClO4S Molecular Weight (g/mol): 244.65 MDL Number: MFCD01941320 InChI Key: HQIPMBGUDSOVEA-UHFFFAOYSA-N Synonym: 2-oxo-2h-chromene-6-sulfonyl chloride,coumarin-6-sulfonyl chloride,6-cs-cl,coumarin-6-sulphonyl chloride,2-oxo-2h-chromene-6-sulphonyl chloride,2-oxo-2h-1-benzopyran-6-sulfonyl chloride,6-chlorosulfonyl chromen-2-one,pubchem5506,c6scl,timtec-bb sbb002796 PubChem CID: 2735833 IUPAC Name: 2-oxochromene-6-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1
| PubChem CID | 2735833 |
|---|---|
| CAS | 10543-42-7 |
| Molecular Weight (g/mol) | 244.65 |
| MDL Number | MFCD01941320 |
| SMILES | ClS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1 |
| Synonym | 2-oxo-2h-chromene-6-sulfonyl chloride,coumarin-6-sulfonyl chloride,6-cs-cl,coumarin-6-sulphonyl chloride,2-oxo-2h-chromene-6-sulphonyl chloride,2-oxo-2h-1-benzopyran-6-sulfonyl chloride,6-chlorosulfonyl chromen-2-one,pubchem5506,c6scl,timtec-bb sbb002796 |
| IUPAC Name | 2-oxochromene-6-sulfonyl chloride |
| InChI Key | HQIPMBGUDSOVEA-UHFFFAOYSA-N |
| Molecular Formula | C9H5ClO4S |
(+/-)-Phenylsuccinic acid, 98%
CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
| PubChem CID | 95459 |
|---|---|
| CAS | 635-51-8 |
| Molecular Weight (g/mol) | 194.186 |
| MDL Number | MFCD00004256 |
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)C(=O)O |
| Synonym | phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl |
| IUPAC Name | 2-phenylbutanedioic acid |
| InChI Key | LVFFZQQWIZURIO-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4'-Hydroxy-6-methylflavone, 97%
CAS: 288401-04-7 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD03424432 InChI Key: YAACYYNCHMHECD-UHFFFAOYSA-N Synonym: 4'-hydroxy-6-methylflavone,2-4-hydroxyphenyl-6-methylchromen-4-one,6-methyl-4'-hydroxyflavone,2-4-hydroxyphenyl-6-methyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 2-4-hydroxyphenyl-6-methyl PubChem CID: 1659442 IUPAC Name: 2-(4-hydroxyphenyl)-6-methylchromen-4-one SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=C(C=C3)O
| PubChem CID | 1659442 |
|---|---|
| CAS | 288401-04-7 |
| Molecular Weight (g/mol) | 252.269 |
| MDL Number | MFCD03424432 |
| SMILES | CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=C(C=C3)O |
| Synonym | 4'-hydroxy-6-methylflavone,2-4-hydroxyphenyl-6-methylchromen-4-one,6-methyl-4'-hydroxyflavone,2-4-hydroxyphenyl-6-methyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 2-4-hydroxyphenyl-6-methyl |
| IUPAC Name | 2-(4-hydroxyphenyl)-6-methylchromen-4-one |
| InChI Key | YAACYYNCHMHECD-UHFFFAOYSA-N |
| Molecular Formula | C16H12O3 |
6,7-Dihydroxy-4-methylcoumarin, 97%
CAS: 529-84-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006859 InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one PubChem CID: 5319502 IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O
| PubChem CID | 5319502 |
|---|---|
| CAS | 529-84-0 |
| Molecular Weight (g/mol) | 192.17 |
| MDL Number | MFCD00006859 |
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)O)O |
| Synonym | 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one |
| IUPAC Name | 6,7-dihydroxy-4-methylchromen-2-one |
| InChI Key | KVOJTUXGYQVLAJ-UHFFFAOYSA-N |
| Molecular Formula | C10H8O4 |
3-(2,6-Dichlorophenyl)propionic acid, 96%
CAS: 51656-68-9 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.061 MDL Number: MFCD01310807 InChI Key: IDEOVPXKPDUXTP-UHFFFAOYSA-N PubChem CID: 2758192 IUPAC Name: 3-(2,6-dichlorophenyl)propanoic acid SMILES: C1=CC(=C(C(=C1)Cl)CCC(=O)O)Cl
| PubChem CID | 2758192 |
|---|---|
| CAS | 51656-68-9 |
| Molecular Weight (g/mol) | 219.061 |
| MDL Number | MFCD01310807 |
| SMILES | C1=CC(=C(C(=C1)Cl)CCC(=O)O)Cl |
| IUPAC Name | 3-(2,6-dichlorophenyl)propanoic acid |
| InChI Key | IDEOVPXKPDUXTP-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O2 |
5,7-Dihydroxy-4'-methoxyisoflavone, 98%
CAS: 491-80-5 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD00006839 InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N Synonym: biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl PubChem CID: 5280373 ChEBI: CHEBI:17574 IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
| PubChem CID | 5280373 |
|---|---|
| CAS | 491-80-5 |
| Molecular Weight (g/mol) | 284.27 |
| ChEBI | CHEBI:17574 |
| MDL Number | MFCD00006839 |
| SMILES | COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O |
| Synonym | biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl |
| IUPAC Name | 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one |
| InChI Key | WUADCCWRTIWANL-UHFFFAOYSA-N |
| Molecular Formula | C16H12O5 |
4',7-Dihydroxyisoflavone, 97%
CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00016954 InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonym: daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone PubChem CID: 5281708 ChEBI: CHEBI:28197 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
| PubChem CID | 5281708 |
|---|---|
| CAS | 486-66-8 |
| Molecular Weight (g/mol) | 254.241 |
| ChEBI | CHEBI:28197 |
| MDL Number | MFCD00016954 |
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
| Synonym | daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone |
| IUPAC Name | 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| InChI Key | ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
| Molecular Formula | C15H10O4 |
Minocycline Hydrochloride 98.0+%, TCI America™
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CAS: 13614-98-7 Molecular Formula: C23H28ClN3O7 Molecular Weight (g/mol): 493.94 MDL Number: MFCD00083669 InChI Key: KDLQIOPKJDNQIM-WUURTAMISA-N Synonym: minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino PubChem CID: 54685925 IUPAC Name: hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride SMILES: [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C
| PubChem CID | 54685925 |
|---|---|
| CAS | 13614-98-7 |
| Molecular Weight (g/mol) | 493.94 |
| MDL Number | MFCD00083669 |
| SMILES | [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C |
| Synonym | minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino |
| IUPAC Name | hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride |
| InChI Key | KDLQIOPKJDNQIM-WUURTAMISA-N |
| Molecular Formula | C23H28ClN3O7 |
Curcumin (Natural), TCI America™
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CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
| PubChem CID | 969516 |
|---|---|
| CAS | 458-37-7 |
| Molecular Weight (g/mol) | 368.39 |
| ChEBI | CHEBI:3962 |
| MDL Number | MFCD00008365 |
| SMILES | COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O |
| Synonym | curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i |
| IUPAC Name | (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one |
| InChI Key | ZIUSSTSXXLLKKK-KOBPDPAPSA-N |
| Molecular Formula | C21H20O6 |
(+)-Catechin Hydrate 97.0+%, TCI America™
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CAS: 154-23-4 Molecular Formula: C15H14O6 Molecular Weight (g/mol): 290.271 MDL Number: MFCD00075649 InChI Key: PFTAWBLQPZVEMU-DZGCQCFKSA-N Synonym: (+)-3,3′C,4′C,5,7-Flavanpentol PubChem CID: 9064 ChEBI: CHEBI:15600 IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
| PubChem CID | 9064 |
|---|---|
| CAS | 154-23-4 |
| Molecular Weight (g/mol) | 290.271 |
| ChEBI | CHEBI:15600 |
| MDL Number | MFCD00075649 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O |
| Synonym | (+)-3,3′C,4′C,5,7-Flavanpentol |
| IUPAC Name | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| InChI Key | PFTAWBLQPZVEMU-DZGCQCFKSA-N |
| Molecular Formula | C15H14O6 |
trans-Cinnamaldehyde 98.0+%, TCI America™
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CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 IUPAC Name: (2E)-3-phenylprop-2-enal SMILES: O=C\C=C\C1=CC=CC=C1
| PubChem CID | 637511 |
|---|---|
| CAS | 14371-10-9 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:16731 |
| MDL Number | MFCD00007000 |
| SMILES | O=C\C=C\C1=CC=CC=C1 |
| Synonym | cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal |
| IUPAC Name | (2E)-3-phenylprop-2-enal |
| InChI Key | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
| Molecular Formula | C9H8O |
trans-Cinnamamide 98.0+%, TCI America™
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CAS: 22031-64-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00008033 InChI Key: APEJMQOBVMLION-VOTSOKGWSA-N Synonym: trans-3-Phenylacrylamide PubChem CID: 5273472 ChEBI: CHEBI:76320 IUPAC Name: (E)-3-phenylprop-2-enamide SMILES: C1=CC=C(C=C1)C=CC(=O)N
| PubChem CID | 5273472 |
|---|---|
| CAS | 22031-64-7 |
| Molecular Weight (g/mol) | 147.177 |
| ChEBI | CHEBI:76320 |
| MDL Number | MFCD00008033 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)N |
| Synonym | trans-3-Phenylacrylamide |
| IUPAC Name | (E)-3-phenylprop-2-enamide |
| InChI Key | APEJMQOBVMLION-VOTSOKGWSA-N |
| Molecular Formula | C9H9NO |
Dicoumarol 98.0+%, TCI America™
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CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
| PubChem CID | 54676038 |
|---|---|
| CAS | 66-76-2 |
| Molecular Weight (g/mol) | 336.30 |
| ChEBI | CHEBI:4513 |
| MDL Number | MFCD00006857 |
| SMILES | OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12 |
| Synonym | dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl |
| IUPAC Name | 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2H-chromen-2-one |
| InChI Key | DOBMPNYZJYQDGZ-UHFFFAOYSA-N |
| Molecular Formula | C19H12O6 |