Phenylpropanoids and polyketides
Filtered Search Results
4-Hydroxy-6-methylcoumarin 98.0+%, TCI America™
CAS: 13252-83-0 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00085738 InChI Key: CSVFZDYJGBVNEX-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4 PubChem CID: 54686349 IUPAC Name: 2-hydroxy-6-methyl-4H-chromen-4-one SMILES: CC1=CC=C2OC(O)=CC(=O)C2=C1
| PubChem CID | 54686349 |
|---|---|
| CAS | 13252-83-0 |
| Molecular Weight (g/mol) | 176.17 |
| MDL Number | MFCD00085738 |
| SMILES | CC1=CC=C2OC(O)=CC(=O)C2=C1 |
| Synonym | 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4 |
| IUPAC Name | 2-hydroxy-6-methyl-4H-chromen-4-one |
| InChI Key | CSVFZDYJGBVNEX-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3 |
3-(1-Naphthyl)acrylic Acid 95.0+%, TCI America™
CAS: 13026-12-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014317,MFCD00014317 InChI Key: WPXMLUUYWNHQOR-CMDGGOBGSA-N Synonym: naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid PubChem CID: 12158295 IUPAC Name: (2E)-3-(naphthalen-1-yl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1
| PubChem CID | 12158295 |
|---|---|
| CAS | 13026-12-5 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00014317,MFCD00014317 |
| SMILES | OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1 |
| Synonym | naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid |
| IUPAC Name | (2E)-3-(naphthalen-1-yl)prop-2-enoic acid |
| InChI Key | WPXMLUUYWNHQOR-CMDGGOBGSA-N |
| Molecular Formula | C13H10O2 |
cis-2-Methoxycinnamic Acid 98.0+%, TCI America™
CAS: 14737-91-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00004375 InChI Key: FEGVSPGUHMGGBO-SREVYHEPSA-N Synonym: cis-O-Methyl-o-coumaric Acid, cis-O-Methyl-o-cumaric Acid PubChem CID: 1622530 IUPAC Name: (Z)-3-(2-methoxyphenyl)prop-2-enoic acid SMILES: COC1=CC=CC=C1C=CC(=O)O
| PubChem CID | 1622530 |
|---|---|
| CAS | 14737-91-8 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00004375 |
| SMILES | COC1=CC=CC=C1C=CC(=O)O |
| Synonym | cis-O-Methyl-o-coumaric Acid, cis-O-Methyl-o-cumaric Acid |
| IUPAC Name | (Z)-3-(2-methoxyphenyl)prop-2-enoic acid |
| InChI Key | FEGVSPGUHMGGBO-SREVYHEPSA-N |
| Molecular Formula | C10H10O3 |
Coumarin 521T 98.0+%, TCI America™
CAS: 114768-72-8 Molecular Formula: C21H25NO3 Molecular Weight (g/mol): 339.435 InChI Key: NGTDVJOJDMQAMI-UHFFFAOYSA-N Synonym: 10-Acetyl-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 14365279 SMILES: CC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C
| PubChem CID | 14365279 |
|---|---|
| CAS | 114768-72-8 |
| Molecular Weight (g/mol) | 339.435 |
| SMILES | CC(=O)C1=CC2=CC3=C4C(=C2OC1=O)C(CCN4CCC3(C)C)(C)C |
| Synonym | 10-Acetyl-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one |
| InChI Key | NGTDVJOJDMQAMI-UHFFFAOYSA-N |
| Molecular Formula | C21H25NO3 |
(+/-)-Equol 98.0+%, TCI America™
CAS: 94105-90-5 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00016662 InChI Key: ADFCQWZHKCXPAJ-UHFFFAOYNA-N Synonym: 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol PubChem CID: 382975 IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol SMILES: OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
| PubChem CID | 382975 |
|---|---|
| CAS | 94105-90-5 |
| Molecular Weight (g/mol) | 242.27 |
| MDL Number | MFCD00016662 |
| SMILES | OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2 |
| Synonym | 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol |
| IUPAC Name | 3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol |
| InChI Key | ADFCQWZHKCXPAJ-UHFFFAOYNA-N |
| Molecular Formula | C15H14O3 |
1,2-Benzanthraquinone 95.0+%, TCI America™
CAS: 2498-66-0 Molecular Formula: C18H10O2 Molecular Weight (g/mol): 258.276 MDL Number: MFCD00003596 InChI Key: LHMRXAIRPKSGDE-UHFFFAOYSA-N Synonym: 1,2-benzanthraquinone,benzanthraquinone,tetraphene-7,12-dione,benz a anthracene-7,12-dione,sirius yellow g,benzanthracene-7,12-dione,1,2-benzoanthraquinone,7,12-benz a anthraquinone,1,2-benzo-9,10-anthraquinone PubChem CID: 17253 IUPAC Name: benzo[a]anthracene-7,12-dione SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
| PubChem CID | 17253 |
|---|---|
| CAS | 2498-66-0 |
| Molecular Weight (g/mol) | 258.276 |
| MDL Number | MFCD00003596 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O |
| Synonym | 1,2-benzanthraquinone,benzanthraquinone,tetraphene-7,12-dione,benz a anthracene-7,12-dione,sirius yellow g,benzanthracene-7,12-dione,1,2-benzoanthraquinone,7,12-benz a anthraquinone,1,2-benzo-9,10-anthraquinone |
| IUPAC Name | benzo[a]anthracene-7,12-dione |
| InChI Key | LHMRXAIRPKSGDE-UHFFFAOYSA-N |
| Molecular Formula | C18H10O2 |
trans-2,4-Dichlorocinnamic Acid 98.0+%, TCI America™
CAS: 20595-45-3 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.045 MDL Number: MFCD00004373 InChI Key: MEBWABJHRAYGFW-DUXPYHPUSA-N Synonym: 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid PubChem CID: 688026 IUPAC Name: (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O
| PubChem CID | 688026 |
|---|---|
| CAS | 20595-45-3 |
| Molecular Weight (g/mol) | 217.045 |
| MDL Number | MFCD00004373 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=CC(=O)O |
| Synonym | 2,4-dichlorocinnamic acid,trans-2,4-dichlorocinnamic acid,e-3-2,4-dichlorophenyl acrylic acid,cinnamic acid, 2,4-dichloro,3-2,4-dichlorophenyl-2-propenoic acid,unii-c09kk5d2t2,2-propenoic acid, 3-2,4-dichlorophenyl-, 2e,2e-3-2,4-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,4-dichlorophenyl,2e-3-2,4-dichlorophenyl prop-2-enoic acid |
| IUPAC Name | (E)-3-(2,4-dichlorophenyl)prop-2-enoic acid |
| InChI Key | MEBWABJHRAYGFW-DUXPYHPUSA-N |
| Molecular Formula | C9H6Cl2O2 |
Coumarin 478 98.0+%, TCI America™
CAS: 41175-45-5 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD00041949 InChI Key: LLSRPENMALNOFW-UHFFFAOYSA-N Synonym: coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci PubChem CID: 100336 SMILES: C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23
| PubChem CID | 100336 |
|---|---|
| CAS | 41175-45-5 |
| Molecular Weight (g/mol) | 281.355 |
| MDL Number | MFCD00041949 |
| SMILES | C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23 |
| Synonym | coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci |
| InChI Key | LLSRPENMALNOFW-UHFFFAOYSA-N |
| Molecular Formula | C18H19NO2 |
3-Methylcinnamic Acid 98.0+%, TCI America™
CAS: 3029-79-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00016844 InChI Key: JZINNAKNHHQBOS-AATRIKPKSA-N Synonym: 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e PubChem CID: 2063448 ChEBI: CHEBI:61118 IUPAC Name: (E)-3-(3-methylphenyl)prop-2-enoic acid SMILES: CC1=CC=CC(=C1)C=CC(=O)O
| PubChem CID | 2063448 |
|---|---|
| CAS | 3029-79-6 |
| Molecular Weight (g/mol) | 162.188 |
| ChEBI | CHEBI:61118 |
| MDL Number | MFCD00016844 |
| SMILES | CC1=CC=CC(=C1)C=CC(=O)O |
| Synonym | 3-methylcinnamic acid,m-methylcinnamic acid,e-3-m-tolyl acrylic acid,3-m-tolyl acrylic acid,2e-3-3-methylphenyl acrylic acid,2e-3-3-methylphenyl prop-2-enoic acid,cinnamic acid, m-methyl,3-methylcinnamic acid, predominantly trans,2e-3-3-methylphenyl-2-propenoic acid,2-propenoic acid, 3-3-methylphenyl-, 2e |
| IUPAC Name | (E)-3-(3-methylphenyl)prop-2-enoic acid |
| InChI Key | JZINNAKNHHQBOS-AATRIKPKSA-N |
| Molecular Formula | C10H10O2 |
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-n-Octyloxyphenyl 4-Butylbenzoate 98.0+%, TCI America™
CAS: 42815-59-8 Molecular Formula: C25H34O3 Molecular Weight (g/mol): 382.544 MDL Number: MFCD00060084 InChI Key: DESAJRHSCPKXHK-UHFFFAOYSA-N Synonym: 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester PubChem CID: 19013731 IUPAC Name: (4-octoxyphenyl) 4-butylbenzoate SMILES: CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
| PubChem CID | 19013731 |
|---|---|
| CAS | 42815-59-8 |
| Molecular Weight (g/mol) | 382.544 |
| MDL Number | MFCD00060084 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC |
| Synonym | 4-Butylbenzoic Acid 4-n-Octyloxyphenyl Ester |
| IUPAC Name | (4-octoxyphenyl) 4-butylbenzoate |
| InChI Key | DESAJRHSCPKXHK-UHFFFAOYSA-N |
| Molecular Formula | C25H34O3 |
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 |
trans-o-Coumaric Acid 98.0+%, TCI America™
CAS: 614-60-8 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004379 InChI Key: PMOWTIHVNWZYFI-AATRIKPKSA-N Synonym: 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid PubChem CID: 637540 ChEBI: CHEBI:18125 IUPAC Name: (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1O
| PubChem CID | 637540 |
|---|---|
| CAS | 614-60-8 |
| Molecular Weight (g/mol) | 164.16 |
| ChEBI | CHEBI:18125 |
| MDL Number | MFCD00004379 |
| SMILES | OC(=O)\C=C\C1=CC=CC=C1O |
| Synonym | 2-hydroxycinnamic acid,o-coumaric acid,trans-2-hydroxycinnamic acid,2-coumaric acid,trans-o-hydroxycinnamic acid,trans-o-coumaric acid,2-coumarate,e-o-hydroxycinnamic acid,2-hydroxycinnamate,o-hydroxy-trans-cinnamic acid |
| IUPAC Name | (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid |
| InChI Key | PMOWTIHVNWZYFI-AATRIKPKSA-N |
| Molecular Formula | C9H8O3 |
3-(3-Trifluoromethylphenyl)propionic Acid 98.0+%, TCI America™
CAS: 585-50-2 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.18 MDL Number: MFCD00090487 InChI Key: YLTJJMIWCCJIHI-UHFFFAOYSA-N Synonym: 3-3-trifluoromethyl phenyl propanoic acid,3-3-trifluoromethylphenyl propionic acid,benzenepropanoic acid, 3-trifluoromethyl,3-trifluoromethyl hydrocinnamic acid,unii-4u44xhh79h,3-3'-trifluoromethylphenyl-propionic acid,3-3-trifluoromethyl phenyl propionic acid,cinacalcet m5,m-trifluoromethyl hydrocinnamic acid PubChem CID: 2777683 IUPAC Name: 3-[3-(trifluoromethyl)phenyl]propanoic acid SMILES: OC(=O)CCC1=CC(=CC=C1)C(F)(F)F
| PubChem CID | 2777683 |
|---|---|
| CAS | 585-50-2 |
| Molecular Weight (g/mol) | 218.18 |
| MDL Number | MFCD00090487 |
| SMILES | OC(=O)CCC1=CC(=CC=C1)C(F)(F)F |
| Synonym | 3-3-trifluoromethyl phenyl propanoic acid,3-3-trifluoromethylphenyl propionic acid,benzenepropanoic acid, 3-trifluoromethyl,3-trifluoromethyl hydrocinnamic acid,unii-4u44xhh79h,3-3'-trifluoromethylphenyl-propionic acid,3-3-trifluoromethyl phenyl propionic acid,cinacalcet m5,m-trifluoromethyl hydrocinnamic acid |
| IUPAC Name | 3-[3-(trifluoromethyl)phenyl]propanoic acid |
| InChI Key | YLTJJMIWCCJIHI-UHFFFAOYSA-N |
| Molecular Formula | C10H9F3O2 |