Phenylpropanoids and polyketides
Phenylpropanoids and polyketides
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Ibuprofen, 99%, Thermo Scientific Chemicals
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 |
Quercetin hydrate, 95%, Thermo Scientific Chemicals
CAS: 849061-97-8 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.24 MDL Number: MFCD03847906 InChI Key: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonym: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate PubChem CID: 16212154 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
PubChem CID | 16212154 |
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CAS | 849061-97-8 |
Molecular Weight (g/mol) | 302.24 |
MDL Number | MFCD03847906 |
SMILES | OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 |
Synonym | quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate |
InChI Key | REFJWTPEDVJJIY-UHFFFAOYSA-N |
Molecular Formula | C15H10O7 |
Quercetin dihydrate, 97%, Thermo Scientific Chemicals
CAS: 6151-25-3 Molecular Formula: C15H14O9 Molecular Weight (g/mol): 338.27 MDL Number: MFCD00149487 InChI Key: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
PubChem CID | 5284452 |
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CAS | 6151-25-3 |
Molecular Weight (g/mol) | 338.27 |
MDL Number | MFCD00149487 |
SMILES | O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1 |
Synonym | quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate |
InChI Key | GMGIWEZSKCNYSW-UHFFFAOYSA-N |
Molecular Formula | C15H14O9 |
Thermo Scientific Chemicals 4-Dimethylaminocinnamaldehyde, 98%
CAS: 6203-18-5 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.23 MDL Number: MFCD00007002 InChI Key: RUKJCCIJLIMGEP-ONEGZZNKSA-N Synonym: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 IUPAC Name: (E)-3-[4-(dimethylamino)phenyl]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O
PubChem CID | 5284506 |
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CAS | 6203-18-5 |
Molecular Weight (g/mol) | 175.23 |
MDL Number | MFCD00007002 |
SMILES | CN(C)C1=CC=C(C=C1)C=CC=O |
Synonym | 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent |
IUPAC Name | (E)-3-[4-(dimethylamino)phenyl]prop-2-enal |
InChI Key | RUKJCCIJLIMGEP-ONEGZZNKSA-N |
Molecular Formula | C11H13NO |
Curcumin, 95% (total curcuminoid content), from Turmeric rhizome, Thermo Scientific Chemicals
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,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
PubChem CID | 969516 |
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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,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione |
InChI Key | ZIUSSTSXXLLKKK-KOBPDPAPSA-N |
Molecular Formula | C21H20O6 |
Thermo Scientific Chemicals Curcumin (mixture of curcumin, demethoxycurcumin, and bisdemethoxycurcumin), 98+%
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 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
PubChem CID | 969516 |
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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 |
InChI Key | ZIUSSTSXXLLKKK-KOBPDPAPSA-N |
Molecular Formula | C21H20O6 |
Chalcone, 97%, Thermo Scientific Chemicals
CAS: 94-41-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00003082 InChI Key: DQFBYFPFKXHELB-VAWYXSNFSA-N Synonym: chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone PubChem CID: 637760 ChEBI: CHEBI:48965 SMILES: O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1
PubChem CID | 637760 |
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CAS | 94-41-7 |
Molecular Weight (g/mol) | 208.26 |
ChEBI | CHEBI:48965 |
MDL Number | MFCD00003082 |
SMILES | O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | chalcone,trans-chalcone,e-chalcone,benzalacetophenone,chalkone,benzylideneacetophenone,phenyl styryl ketone,cinnamophenone,2-benzalacetophenone,2-benzylideneacetophenone |
InChI Key | DQFBYFPFKXHELB-VAWYXSNFSA-N |
Molecular Formula | C15H12O |
trans-Cinnamaldehyde, 99%, Thermo Scientific Chemicals
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 SMILES: O=C\C=C\C1=CC=CC=C1
PubChem CID | 637511 |
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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 |
InChI Key | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
Molecular Formula | C9H8O |
Cinnamyl alcohol, 98% trans, Thermo Scientific Chemicals
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 |
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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 |
Paraffin wax, pure, granular, ACROS Organics™
CAS: 8002-74-2 Molecular Formula: CnH2n+2 Molecular Weight (g/mol): 341.451 MDL Number: MFCD00132833 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn PubChem CID: 4932 ChEBI: CHEBI:63619 IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
PubChem CID | 4932 |
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CAS | 8002-74-2 |
Molecular Weight (g/mol) | 341.451 |
ChEBI | CHEBI:63619 |
MDL Number | MFCD00132833 |
SMILES | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O |
Synonym | propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn |
IUPAC Name | 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one |
InChI Key | JWHAUXFOSRPERK-UHFFFAOYSA-N |
Molecular Formula | CnH2n+2 |
trans-Cinnamaldehyde, 98+%, Thermo Scientific Chemicals
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 SMILES: O=C\C=C\C1=CC=CC=C1
PubChem CID | 637511 |
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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 |
InChI Key | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
Molecular Formula | C9H8O |
4-Methylumbelliferone, 97%, Thermo Scientific Chemicals
CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
PubChem CID | 5280567 |
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CAS | 90-33-5 |
Molecular Weight (g/mol) | 176.17 |
ChEBI | CHEBI:17224 |
MDL Number | MFCD00006866 |
SMILES | CC1=CC(=O)OC2=CC(O)=CC=C12 |
Synonym | 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic |
IUPAC Name | 7-hydroxy-4-methylchromen-2-one |
InChI Key | HSHNITRMYYLLCV-UHFFFAOYSA-N |
Molecular Formula | C10H8O3 |
Rutin Hydrate, 97+%, Thermo Scientific Chemicals
CAS: 207671-50-9 Molecular Formula: C27H30O16 Molecular Weight (g/mol): 610.52 MDL Number: MFCD01319140 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonym: rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid PubChem CID: 5280805 ChEBI: CHEBI:28527 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
PubChem CID | 5280805 |
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CAS | 207671-50-9 |
Molecular Weight (g/mol) | 610.52 |
ChEBI | CHEBI:28527 |
MDL Number | MFCD01319140 |
SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
Synonym | rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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 | IKGXIBQEEMLURG-NVPNHPEKSA-N |
Molecular Formula | C27H30O16 |
Coumarin, 98%, Thermo Scientific Chemicals
CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone PubChem CID: 323 ChEBI: CHEBI:28794 SMILES: O=C1OC2=CC=CC=C2C=C1
PubChem CID | 323 |
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CAS | 91-64-5 |
Molecular Weight (g/mol) | 146.15 |
ChEBI | CHEBI:28794 |
MDL Number | MFCD00006850 |
SMILES | O=C1OC2=CC=CC=C2C=C1 |
Synonym | coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone |
InChI Key | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
Molecular Formula | C9H6O2 |