Phenylpropanoids and polyketides
Filtered Search Results
4-Methoxycinnamic acid, 99%
CAS: 830-09-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00004398 InChI Key: AFDXODALSZRGIH-QPJJXVBHSA-N Synonym: 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid PubChem CID: 699414 IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=C(C=C1)C=CC(=O)O
| PubChem CID | 699414 |
|---|---|
| CAS | 830-09-1 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00004398 |
| SMILES | COC1=CC=C(C=C1)C=CC(=O)O |
| Synonym | 4-methoxycinnamic acid,p-methoxycinnamic acid,3-4-methoxyphenyl acrylic acid,trans-4-methoxycinnamic acid,4-methoxycinnamate,para-methoxycinnamic acid,o-methyl-p-coumaric acid,cinnamic acid, p-methoxy,e-3-4-methoxyphenyl acrylic acid,e-3-4-methoxyphenyl-2-propenoic acid |
| IUPAC Name | (E)-3-(4-methoxyphenyl)prop-2-enoic acid |
| InChI Key | AFDXODALSZRGIH-QPJJXVBHSA-N |
| Molecular Formula | C10H10O3 |
2,2-Dimethoxy-2-phenylacetophenone, 99%
CAS: 24650-42-8 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.30 MDL Number: MFCD00008475 InChI Key: KWVGIHKZDCUPEU-UHFFFAOYSA-N Synonym: 2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621 PubChem CID: 90571 IUPAC Name: 2,2-dimethoxy-1,2-diphenylethanone SMILES: COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 90571 |
|---|---|
| CAS | 24650-42-8 |
| Molecular Weight (g/mol) | 256.30 |
| MDL Number | MFCD00008475 |
| SMILES | COC(OC)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2,2-dimethoxy-2-phenylacetophenone,benzil dimethyl ketal,kayacure bdmk,irgacure 651,ethanone, 2,2-dimethoxy-1,2-diphenyl,lucirin bdk,photomer 51,benzil dimethylketal,esacure kb 1,irgacure 621 |
| IUPAC Name | 2,2-dimethoxy-1,2-diphenylethanone |
| InChI Key | KWVGIHKZDCUPEU-UHFFFAOYSA-N |
| Molecular Formula | C16H16O3 |
4-Hydroxychalcone, 97%
CAS: 20426-12-4 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00016488 InChI Key: PWWCDTYUYPOAIU-DHZHZOJOSA-N Synonym: 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 PubChem CID: 5282361 ChEBI: CHEBI:34423 IUPAC Name: (E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one SMILES: OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1
| PubChem CID | 5282361 |
|---|---|
| CAS | 20426-12-4 |
| Molecular Weight (g/mol) | 224.26 |
| ChEBI | CHEBI:34423 |
| MDL Number | MFCD00016488 |
| SMILES | OC1=CC=C(\C=C\C(=O)C2=CC=CC=C2)C=C1 |
| Synonym | 4-hydroxychalcone,4-hydroxy chalcone,2e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,unii-jo97q47vbu,jo97q47vbu,3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,e-3-4-hydroxyphenyl-1-phenyl-prop-2-en-1-one,3-4-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-4-hydroxyphenyl-1-phenylprop-2-en-1-one,ccris 2228 |
| IUPAC Name | (E)-3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one |
| InChI Key | PWWCDTYUYPOAIU-DHZHZOJOSA-N |
| Molecular Formula | C15H12O2 |
Cinnamamide, 97%, predominantly trans
CAS: 621-79-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00008033 InChI Key: APEJMQOBVMLION-VOTSOKGWSA-N Synonym: cinnamamide,trans-cinnamamide,3-phenylacrylamide,cinnamic amide,2-propenamide, 3-phenyl,3-phenylpropenamide,2-benzylideneacetamide,e-cinnamamide,ginnamic acid amide,trans-cinnamoylamine 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 | 621-79-4 |
| Molecular Weight (g/mol) | 147.18 |
| ChEBI | CHEBI:76320 |
| MDL Number | MFCD00008033 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)N |
| Synonym | cinnamamide,trans-cinnamamide,3-phenylacrylamide,cinnamic amide,2-propenamide, 3-phenyl,3-phenylpropenamide,2-benzylideneacetamide,e-cinnamamide,ginnamic acid amide,trans-cinnamoylamine |
| IUPAC Name | (E)-3-phenylprop-2-enamide |
| InChI Key | APEJMQOBVMLION-VOTSOKGWSA-N |
| Molecular Formula | C9H9NO |
(-)-Gallocatechin
CAS: 3371-27-5 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 MDL Number: MFCD01632616 InChI Key: XMOCLSLCDHWDHP-DOMZBBRYSA-N Synonym: --gallocatechin,2s,3r-2-3,4,5-trihydroxyphenyl chroman-3,5,7-triol,2s,3r-gallocatechin,ent-gallocatechin,2s,3r-flavan-3,3',4',5,5',7-hexol,2s,3r-flavan-3,5,7,3',4',5'-hexol,2s,3r-2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,2s,3r---2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,gallocatechingc,l-gallocatechin PubChem CID: 9882981 ChEBI: CHEBI:71225 IUPAC Name: (2S,3R)-2-(3,4,5-trihydroxyphenyl)-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)O
| PubChem CID | 9882981 |
|---|---|
| CAS | 3371-27-5 |
| Molecular Weight (g/mol) | 306.27 |
| ChEBI | CHEBI:71225 |
| MDL Number | MFCD01632616 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
| Synonym | --gallocatechin,2s,3r-2-3,4,5-trihydroxyphenyl chroman-3,5,7-triol,2s,3r-gallocatechin,ent-gallocatechin,2s,3r-flavan-3,3',4',5,5',7-hexol,2s,3r-flavan-3,5,7,3',4',5'-hexol,2s,3r-2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,2s,3r---2-3,4,5-trihydroxyphenyl-3,4-dihydro-2h-chromene-3,5,7-triol,gallocatechingc,l-gallocatechin |
| IUPAC Name | (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| InChI Key | XMOCLSLCDHWDHP-DOMZBBRYSA-N |
| Molecular Formula | C15H14O7 |
3-[3-(Benzyloxy)phenyl]propionic acid, 96%
CAS: 57668-34-5 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD09258905 InChI Key: HVXOYUOKPLHWNU-UHFFFAOYSA-N Synonym: 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid PubChem CID: 21938504 IUPAC Name: 3-(3-phenylmethoxyphenyl)propanoic acid SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O
| PubChem CID | 21938504 |
|---|---|
| CAS | 57668-34-5 |
| Molecular Weight (g/mol) | 256.301 |
| MDL Number | MFCD09258905 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)CCC(=O)O |
| Synonym | 3-3-benzyloxy phenyl propanoic acid,benzenepropanoic acid, 3-phenylmethoxy,3-3-benzyloxy-phenyl-propanoic acid,3-3-benzyloxy phenyl propionic acid,3-3-phenylmethyl oxy phenyl propanoic acid |
| IUPAC Name | 3-(3-phenylmethoxyphenyl)propanoic acid |
| InChI Key | HVXOYUOKPLHWNU-UHFFFAOYSA-N |
| Molecular Formula | C16H16O3 |
3-(2,5-Dimethoxyphenyl)propionic acid, 96%
CAS: 10538-49-5 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00060325 InChI Key: JENQUCZZZGYHRW-UHFFFAOYSA-N PubChem CID: 66343 IUPAC Name: 3-(2,5-dimethoxyphenyl)propanoic acid SMILES: COC1=CC=C(OC)C(CCC(O)=O)=C1
| PubChem CID | 66343 |
|---|---|
| CAS | 10538-49-5 |
| Molecular Weight (g/mol) | 210.23 |
| MDL Number | MFCD00060325 |
| SMILES | COC1=CC=C(OC)C(CCC(O)=O)=C1 |
| IUPAC Name | 3-(2,5-dimethoxyphenyl)propanoic acid |
| InChI Key | JENQUCZZZGYHRW-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |
3-(4-n-Propoxyphenyl)propionic acid, 96%
CAS: 3243-40-1 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00484121 InChI Key: SOFMLHAGBATXNZ-UHFFFAOYSA-N Synonym: 3-4-propoxyphenyl propanoic acid,3-4-propoxy-phenyl-propionic acid,benzenepropanoic acid,4-propoxy,3-4-n-propoxyphenyl propionic acid,cbmicro_011397,cambridge id 5152838,4-propoxy-benzenepropanoic acid,3-4-n-propoxyphenyl propanoic acid PubChem CID: 2255935 IUPAC Name: 3-(4-propoxyphenyl)propanoic acid SMILES: CCCOC1=CC=C(C=C1)CCC(=O)O
| PubChem CID | 2255935 |
|---|---|
| CAS | 3243-40-1 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD00484121 |
| SMILES | CCCOC1=CC=C(C=C1)CCC(=O)O |
| Synonym | 3-4-propoxyphenyl propanoic acid,3-4-propoxy-phenyl-propionic acid,benzenepropanoic acid,4-propoxy,3-4-n-propoxyphenyl propionic acid,cbmicro_011397,cambridge id 5152838,4-propoxy-benzenepropanoic acid,3-4-n-propoxyphenyl propanoic acid |
| IUPAC Name | 3-(4-propoxyphenyl)propanoic acid |
| InChI Key | SOFMLHAGBATXNZ-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
Esculin Monohydrate, ≥97.5%, MP Biomedicals™
CAS: 531-75-9 Molecular Formula: C15H16O9 Molecular Weight (g/mol): 340.28 MDL Number: MFCD00149492 InChI Key: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonym: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 IUPAC Name: 7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
| PubChem CID | 5281417 |
|---|---|
| CAS | 531-75-9 |
| Molecular Weight (g/mol) | 340.28 |
| ChEBI | CHEBI:4853 |
| MDL Number | MFCD00149492 |
| SMILES | OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| Synonym | esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside |
| IUPAC Name | 7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one |
| InChI Key | XHCADAYNFIFUHF-TYKRLAFXNA-N |
| Molecular Formula | C15H16O9 |
Tyrphostin B46, 98+%, Thermo Scientific Chemicals
CAS: 133550-34-2 Molecular Formula: C19H18N2O3 Molecular Weight (g/mol): 322.364 MDL Number: MFCD00209865 InChI Key: GSQOBTOAOGXIFL-WJDWOHSUSA-N Synonym: tyrphostin b46,z-2-cyano-3-3,4-dihydroxyphenyl-n-3-phenylpropyl prop-2-enamide,n-3 inverted exclamation marka-phenylpropyl-3,4-dihydroxybenzylidenecyanoacetamide PubChem CID: 5353390 IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide SMILES: C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
| PubChem CID | 5353390 |
|---|---|
| CAS | 133550-34-2 |
| Molecular Weight (g/mol) | 322.364 |
| MDL Number | MFCD00209865 |
| SMILES | C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N |
| Synonym | tyrphostin b46,z-2-cyano-3-3,4-dihydroxyphenyl-n-3-phenylpropyl prop-2-enamide,n-3 inverted exclamation marka-phenylpropyl-3,4-dihydroxybenzylidenecyanoacetamide |
| IUPAC Name | (Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide |
| InChI Key | GSQOBTOAOGXIFL-WJDWOHSUSA-N |
| Molecular Formula | C19H18N2O3 |
Chalcone, 97%
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 |
|---|---|
| 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 |
2-Hydroxychalcone, 98+%
CAS: 644-78-0 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00016449 InChI Key: UDOOPSJCRMKSGL-ZHACJKMWSA-N Synonym: 2-hydroxychalcone,2e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,2-propen-1-one, 3-2-hydroxyphenyl-1-phenyl,2-2-hydroxybenzal acetophenone,e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-2-hydroxyphenyl-1-phenyl-prop-2-en-1-one,2-hydroxybenzylidene acetophenone,chalcone, 1 PubChem CID: 5367146 IUPAC Name: (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O
| PubChem CID | 5367146 |
|---|---|
| CAS | 644-78-0 |
| Molecular Weight (g/mol) | 224.259 |
| MDL Number | MFCD00016449 |
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O |
| Synonym | 2-hydroxychalcone,2e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,2-propen-1-one, 3-2-hydroxyphenyl-1-phenyl,2-2-hydroxybenzal acetophenone,e-3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenylprop-2-en-1-one,3-2-hydroxyphenyl-1-phenyl-2-propen-1-one,e-3-2-hydroxyphenyl-1-phenyl-prop-2-en-1-one,2-hydroxybenzylidene acetophenone,chalcone, 1 |
| IUPAC Name | (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one |
| InChI Key | UDOOPSJCRMKSGL-ZHACJKMWSA-N |
| Molecular Formula | C15H12O2 |
alpha-Bromocinnamaldehyde, 98%
CAS: 5443-49-2 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00006965 InChI Key: WQRWNOKNRHCLHV-TWGQIWQCSA-N Synonym: alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo PubChem CID: 5369403 IUPAC Name: (Z)-2-bromo-3-phenylprop-2-enal SMILES: C1=CC=C(C=C1)C=C(C=O)Br
| PubChem CID | 5369403 |
|---|---|
| CAS | 5443-49-2 |
| Molecular Weight (g/mol) | 211.058 |
| MDL Number | MFCD00006965 |
| SMILES | C1=CC=C(C=C1)C=C(C=O)Br |
| Synonym | alpha-bromocinnamaldehyde,2-bromo-3-phenylacrylaldehyde,alphabrocine,2-bromo-3-phenyl-2-propenal,bromocinnamal,alpha-bromocinnamic aldehyde,ccris 3924,b 37 van,2-propenal, 2-bromo-3-phenyl,cinnamaldehyde, alpha-bromo |
| IUPAC Name | (Z)-2-bromo-3-phenylprop-2-enal |
| InChI Key | WQRWNOKNRHCLHV-TWGQIWQCSA-N |
| Molecular Formula | C9H7BrO |
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 |
3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 98+%
CAS: 537-73-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004391 InChI Key: QURCVMIEKCOAJU-HWKANZROSA-N Synonym: isoferulic acid,3-hydroxy-4-methoxycinnamic acid,hesperetic acid,3-3-hydroxy-4-methoxyphenyl acrylic acid,2e-3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,isoferulate,2-propenoic acid, 3-3-hydroxy-4-methoxyphenyl,e-3-3-hydroxy-4-methoxyphenyl acrylic acid,3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,3-hydroxy-4-methoxy-cinnamic acid PubChem CID: 736186 ChEBI: CHEBI:27794 IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O
| PubChem CID | 736186 |
|---|---|
| CAS | 537-73-5 |
| Molecular Weight (g/mol) | 194.186 |
| ChEBI | CHEBI:27794 |
| MDL Number | MFCD00004391 |
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)O)O |
| Synonym | isoferulic acid,3-hydroxy-4-methoxycinnamic acid,hesperetic acid,3-3-hydroxy-4-methoxyphenyl acrylic acid,2e-3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,isoferulate,2-propenoic acid, 3-3-hydroxy-4-methoxyphenyl,e-3-3-hydroxy-4-methoxyphenyl acrylic acid,3-3-hydroxy-4-methoxyphenyl prop-2-enoic acid,3-hydroxy-4-methoxy-cinnamic acid |
| IUPAC Name | (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
| InChI Key | QURCVMIEKCOAJU-HWKANZROSA-N |
| Molecular Formula | C10H10O4 |