Phenylpropanoids and polyketides
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Paraffin, NF, Spectrum™ Chemical
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 |
|---|---|
| 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 |
Phloretin, 98%
CAS: 60-82-2 Molecular Formula: C15H14O5 Molecular Weight (g/mol): 274.272 MDL Number: MFCD00002288 InChI Key: VGEREEWJJVICBM-UHFFFAOYSA-N Synonym: phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone PubChem CID: 4788 ChEBI: CHEBI:17276 IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
| PubChem CID | 4788 |
|---|---|
| CAS | 60-82-2 |
| Molecular Weight (g/mol) | 274.272 |
| ChEBI | CHEBI:17276 |
| MDL Number | MFCD00002288 |
| SMILES | C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O |
| Synonym | phloretin,dihydronaringenin,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl propan-1-one,phloretol,3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl-1-propanone,unii-s5j5oe47mk,1-propanone, 3-4-hydroxyphenyl-1-2,4,6-trihydroxyphenyl,ccris 7459,beta-p-hydroxyphenyl phloropropiophenone,2',4',6'-trihydroxy-3-p-hydroxyphenyl propiophenone |
| IUPAC Name | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
| InChI Key | VGEREEWJJVICBM-UHFFFAOYSA-N |
| Molecular Formula | C15H14O5 |
4'-Methoxychalcone, 97%
CAS: 959-23-9 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00008407 InChI Key: KJHHAPASNNVTSN-KPKJPENVSA-N Synonym: 4'-methoxychalcone,2e-1-4-methoxyphenyl-3-phenylprop-2-en-1-one,1-4-methoxyphenyl-3-phenylprop-2-en-1-one,chembl34398,1-4-methoxyphenyl-3-phenyl-2-propen-1-one,e-1-4-methoxyphenyl-3-phenylprop-2-en-1-one,unii-bm45n45fiz,e-1-4-methoxy-phenyl-3-phenyl-propenone,2-propen-1-one, 1-4-methoxyphenyl-3-phenyl-, 2e,2-propen-1-one, 1-4-methoxyphenyl-3-phenyl PubChem CID: 641818 IUPAC Name: (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one SMILES: COC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2
| PubChem CID | 641818 |
|---|---|
| CAS | 959-23-9 |
| Molecular Weight (g/mol) | 238.286 |
| MDL Number | MFCD00008407 |
| SMILES | COC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2 |
| Synonym | 4'-methoxychalcone,2e-1-4-methoxyphenyl-3-phenylprop-2-en-1-one,1-4-methoxyphenyl-3-phenylprop-2-en-1-one,chembl34398,1-4-methoxyphenyl-3-phenyl-2-propen-1-one,e-1-4-methoxyphenyl-3-phenylprop-2-en-1-one,unii-bm45n45fiz,e-1-4-methoxy-phenyl-3-phenyl-propenone,2-propen-1-one, 1-4-methoxyphenyl-3-phenyl-, 2e,2-propen-1-one, 1-4-methoxyphenyl-3-phenyl |
| IUPAC Name | (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one |
| InChI Key | KJHHAPASNNVTSN-KPKJPENVSA-N |
| Molecular Formula | C16H14O2 |
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 |
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 |
1,3-Diphenyl-1,3-propanedione, 98+%
CAS: 120-46-7 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00003085 InChI Key: NZZIMKJIVMHWJC-UHFFFAOYSA-N Synonym: dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc PubChem CID: 8433 ChEBI: CHEBI:75417 IUPAC Name: 1,3-diphenylpropane-1,3-dione SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2
| PubChem CID | 8433 |
|---|---|
| CAS | 120-46-7 |
| Molecular Weight (g/mol) | 224.259 |
| ChEBI | CHEBI:75417 |
| MDL Number | MFCD00003085 |
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 |
| Synonym | dibenzoylmethane,1,3-diphenyl-1,3-propanedione,2-benzoylacetophenone,phenyl phenacyl ketone,1,3-propanedione, 1,3-diphenyl,rhodiastab 83,omega-benzoylacetophenone,dibenzoyl-methane,karenzu dk2,unii-ans7me8okc |
| IUPAC Name | 1,3-diphenylpropane-1,3-dione |
| InChI Key | NZZIMKJIVMHWJC-UHFFFAOYSA-N |
| Molecular Formula | C15H12O2 |
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 |
1,3-Diphenylacetone, 98+%
CAS: 102-04-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00004795 InChI Key: YFKBXYGUSOXJGS-UHFFFAOYSA-N Synonym: 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397 PubChem CID: 7593 IUPAC Name: 1,3-diphenylpropan-2-one SMILES: O=C(CC1=CC=CC=C1)CC1=CC=CC=C1
| PubChem CID | 7593 |
|---|---|
| CAS | 102-04-5 |
| Molecular Weight (g/mol) | 210.28 |
| MDL Number | MFCD00004795 |
| SMILES | O=C(CC1=CC=CC=C1)CC1=CC=CC=C1 |
| Synonym | 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397 |
| IUPAC Name | 1,3-diphenylpropan-2-one |
| InChI Key | YFKBXYGUSOXJGS-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
Paraffin, NF, Spectrum™ Chemical
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 |
|---|---|
| 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 |
Rottlerin, 95+%
CAS: 82-08-6 Molecular Formula: C30H28O8 Molecular Weight (g/mol): 516.6 MDL Number: MFCD00017361 InChI Key: DEZFNHCVIZBHBI-ZHACJKMWSA-N Synonym: rottlerin,mallotoxin,kamalin,unii-e29lp3zmuh,e29lp3zmuh,chembl34241,bmk1-f10,e-1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one,1-6-3-acetyl-2,4,6-trihydroxy-5-methyl-benzyl-5,7-dihydroxy-2,2-dimethyl-2h-chromen-8-yl-3-phenyl-propenone,1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one PubChem CID: 5281847 ChEBI: CHEBI:8899 IUPAC Name: (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one SMILES: CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O
| PubChem CID | 5281847 |
|---|---|
| CAS | 82-08-6 |
| Molecular Weight (g/mol) | 516.6 |
| ChEBI | CHEBI:8899 |
| MDL Number | MFCD00017361 |
| SMILES | CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O |
| Synonym | rottlerin,mallotoxin,kamalin,unii-e29lp3zmuh,e29lp3zmuh,chembl34241,bmk1-f10,e-1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one,1-6-3-acetyl-2,4,6-trihydroxy-5-methyl-benzyl-5,7-dihydroxy-2,2-dimethyl-2h-chromen-8-yl-3-phenyl-propenone,1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one |
| IUPAC Name | (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one |
| InChI Key | DEZFNHCVIZBHBI-ZHACJKMWSA-N |
| Molecular Formula | C30H28O8 |
4-Isobutyl-alpha-methylphenylacetic acid, 99%
CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
| PubChem CID | 3672 |
|---|---|
| CAS | 15687-27-1 |
| Molecular Weight (g/mol) | 206.29 |
| ChEBI | CHEBI:5855 |
| MDL Number | MFCD00010393 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
| Synonym | ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen |
| IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYNA-N |
| Molecular Formula | C13H18O2 |
Dibenzyl ketoxime, 98+%
CAS: 1788-31-4 Molecular Formula: C15H15NO Molecular Weight (g/mol): 225.291 MDL Number: MFCD00015453 InChI Key: SXEBLVKLMOIGER-UHFFFAOYSA-N Synonym: dibenzyl ketoxime,1,3-diphenylacetone oxime,1,3-diphenylpropan-2-one oxime,2-propanone, 1,3-diphenyl-, oxime,n-1,3-diphenylpropan-2-ylidene hydroxylamine,2-hydroxyimino-1,3-diphenylpropane,dibenzylketoxim,maybridge4_000477,dibenzyl ketoxime, 98+%,1,3-diphenylacetone oxime # PubChem CID: 74518 IUPAC Name: N-(1,3-diphenylpropan-2-ylidene)hydroxylamine SMILES: C1=CC=C(C=C1)CC(=NO)CC2=CC=CC=C2
| PubChem CID | 74518 |
|---|---|
| CAS | 1788-31-4 |
| Molecular Weight (g/mol) | 225.291 |
| MDL Number | MFCD00015453 |
| SMILES | C1=CC=C(C=C1)CC(=NO)CC2=CC=CC=C2 |
| Synonym | dibenzyl ketoxime,1,3-diphenylacetone oxime,1,3-diphenylpropan-2-one oxime,2-propanone, 1,3-diphenyl-, oxime,n-1,3-diphenylpropan-2-ylidene hydroxylamine,2-hydroxyimino-1,3-diphenylpropane,dibenzylketoxim,maybridge4_000477,dibenzyl ketoxime, 98+%,1,3-diphenylacetone oxime # |
| IUPAC Name | N-(1,3-diphenylpropan-2-ylidene)hydroxylamine |
| InChI Key | SXEBLVKLMOIGER-UHFFFAOYSA-N |
| Molecular Formula | C15H15NO |
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 |
trans-4-Hydroxy-3-methoxycinnamic acid, 99%
CAS: 537-98-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(\C=C\C(O)=O)=CC=C1O
| PubChem CID | 445858 |
|---|---|
| CAS | 537-98-4 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:17620 |
| MDL Number | MFCD00004400 |
| SMILES | COC1=CC(\C=C\C(O)=O)=CC=C1O |
| Synonym | ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl |
| IUPAC Name | (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| InChI Key | KSEBMYQBYZTDHS-HWKANZROSA-N |
| Molecular Formula | C10H10O4 |
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 |