Phenylpropanoids and polyketides
trans-2,6-Difluorocinnamic Acid 95.0+%, TCI America™
CAS: 102082-89-3 Molecular Formula: C9H6F2O2 Molecular Weight (g/mol): 184.142 MDL Number: MFCD00010319 InChI Key: JMUOYANNVIFGFN-SNAWJCMRSA-N Synonym: 2,6-difluorocinnamic acid,trans-2,6-difluorocinnamic acid,e-3-2,6-difluorophenyl acrylic acid,3-2,6-difluorophenyl acrylic acid,2e-3-2,6-difluorophenyl prop-2-enoic acid,2e-3-2,6-difluorophenyl acrylic acid,3-2,6-difluoro-phenyl-acrylic acid,e-3-2,6-difluorophenyl prop-2-enoic acid,2-propenoic acid, 3-2,6-difluorophenyl-, 2e,rarechem bk hw 0116 PubChem CID: 5372267 IUPAC Name: (E)-3-(2,6-difluorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C(=C1)F)C=CC(=O)O)F
3,4'-Dihydroxyflavone 97.0+%, TCI America™
CAS: 14919-49-4 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00017690 InChI Key: GPGOCTLAUAHUQO-UHFFFAOYSA-N Synonym: 3,4'-dihydroxyflavone,3-hydroxy-2-4-hydroxyphenyl-4h-chromen-4-one,3-hydroxy-2-4-hydroxyphenyl chromen-4-one,3-hydroxy-2-4-hydroxy-phenyl-chromen-4-one,4'-hydroxyflavonol,acmc-20anf1,3,4/'-dihydroxyflavone,spectrum1505138,3-hydroxy-2-4-hydroxyphenyl chromone,4h-1-benzopyran-4-one,3-hydroxy-2-4-hydroxyphenyl PubChem CID: 688715 IUPAC Name: 3-hydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O
Chrysin 98.0+%, TCI America™
CAS: 480-40-0 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 MDL Number: MFCD00006834 InChI Key: RTIXKCRFFJGDFG-UHFFFAOYSA-N Synonym: chrysin,5,7-dihydroxyflavone,chrysine,5,7-dihydroxy-2-phenyl-4h-chromen-4-one,crysin,4h-1-benzopyran-4-one, 5,7-dihydroxy-2-phenyl,unii-3cn01f5zj5,flavone, 5,7-dihydroxy,5,7-dihydroxy-2-phenyl-4h-1-benzopyran-4-one,chembl117 PubChem CID: 5281607 ChEBI: CHEBI:75095 IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
trans-m-Coumaric Acid 99.0+%, TCI America™
CAS: 14755-02-3 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00004390 InChI Key: KKSDGJDHHZEWEP-SNAWJCMRSA-N Synonym: 3-hydroxycinnamic acid,3-coumaric acid,m-coumaric acid,m-hydroxycinnamic acid,3-3-hydroxyphenyl acrylic acid,e-3-3-hydroxyphenyl acrylic acid,trans-3-hydroxycinnamic acid,trans-3-hydroxycinnamate,cinnamic acid, m-hydroxy,2e-3-3-hydroxyphenyl prop-2-enoic acid PubChem CID: 637541 ChEBI: CHEBI:32357 IUPAC Name: (E)-3-(3-hydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=CC(=C1)O)C=CC(=O)O
(S)-(+)-2-(4-Isobutylphenyl)propionic Acid 98.0+%, TCI America™
CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
2,6-Dichlorocinnamic Acid 98.0+%, TCI America™
CAS: 5345-89-1 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.05 MDL Number: MFCD00004374 InChI Key: OIPVGRCXMFBNAN-SNAWJCMRSA-N Synonym: 2,6-dichlorocinnamic acid,3-2,6-dichlorophenyl acrylic acid,e-3-2,6-dichlorophenyl acrylic acid,2e-3-2,6-dichlorophenyl prop-2-enoic acid,2e-3-2,6-dichlorophenyl acrylic acid,2-propenoic acid, 3-2,6-dichlorophenyl,3-2,6-dichlorophenyl-2-propenoic acid,cinnamic acid, 2,6-dichloro-6ci,7ci,3-2,6-dichlorophenyl propenoic acid,2,6-dichlorocinnamic acid, predominantly trans PubChem CID: 731762 IUPAC Name: (2E)-3-(2,6-dichlorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=C(Cl)C=CC=C1Cl
Daphnetin 90.0+%, TCI America™
CAS: 486-35-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00016977 InChI Key: ATEFPOUAMCWAQS-UHFFFAOYSA-N Synonym: 7,8-Dihydroxycoumarin PubChem CID: 5280569 ChEBI: CHEBI:17313 IUPAC Name: 7,8-dihydroxychromen-2-one SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)O
3-(4-Methoxyphenyl)propionic Acid 98.0+%, TCI America™
CAS: 1929-29-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002777 InChI Key: FIUFLISGGHNPSM-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy PubChem CID: 95750 IUPAC Name: 3-(4-methoxyphenyl)propanoic acid SMILES: COC1=CC=C(C=C1)CCC(=O)O
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
4-Chloro-3-nitrocinnamic Acid 97.0+%, TCI America™
CAS: 20797-48-2 Molecular Formula: C9H6ClNO4 Molecular Weight (g/mol): 227.6 MDL Number: MFCD00063311 InChI Key: QBDALTIMHOITIU-DUXPYHPUSA-N Synonym: 4-chloro-3-nitrocinnamic acid,trans-4-chloro-3-nitrocinnamic acid,3-4-chloro-3-nitrophenyl acrylic acid,e-3-4-chloro-3-nitrophenyl acrylic acid,2e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,e-3-4-chloro-3-nitrophenyl prop-2-enoic acid,4-chloro-3-nitro-cinnamic acid,3-nitro-4-chlorocinnamic acid,qbdaltimhoitiu-duxpyhpusa,3-4-chloro-3-nitrophenyl propenoic acid PubChem CID: 688108 SMILES: C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])Cl
2-Methyl-3-phenyl-2-propen-1-ol 95.0+%, TCI America™
CAS: 1504-55-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00004738 InChI Key: LLNAMUJRIZIXHF-VQHVLOKHSA-N Synonym: 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol PubChem CID: 6393846 IUPAC Name: (E)-2-methyl-3-phenylprop-2-en-1-ol SMILES: CC(=CC1=CC=CC=C1)CO
7-Amino-4-methylcoumarin 98.0+%, TCI America™
CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12
4-Methylesculetin 98.0+%, TCI America™
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
4-Carboxymethyl-6,7-methylenedioxycoumarin 95.0+%, TCI America™
CAS: 97744-77-9 Molecular Formula: C12H8O6 Molecular Weight (g/mol): 248.19 MDL Number: MFCD00143278 InChI Key: PIHRLFGNZWHKIO-UHFFFAOYSA-N PubChem CID: 44630205 IUPAC Name: 2-{6-oxo-2H,6H-[1,3]dioxolo[4,5-g]chromen-8-yl}acetic acid SMILES: OC(=O)CC1=CC(=O)OC2=CC3=C(OCO3)C=C12
Neohesperidin Dihydrochalcone Hydrate 98.0+%, TCI America™
CAS: 20702-77-6 Molecular Formula: C28H36O15 Molecular Weight (g/mol): 612.58 MDL Number: MFCD00017711 InChI Key: ITVGXXMINPYUHD-UHFFFAOYSA-N Synonym: neohesperidin dihydrochalcone,nhdc,neohesperidin dc,neohesperidin dhc,unii-3x476d83qv,ccris 4848,neosperidin dihydrochalcone,neohesperidine dihydrochalcone,1-4-2-o-6-deoxy-alpha-l-mannopyranosyl-beta-d-glucopyranosyl oxy-2,6-dihydroxyphenyl-3-3-hydroxy-4-methoxyphenyl propan-1-one,1-4-2-o-6-deoxy-alpha-l-mannopyranosyl-beta-d-glucopyranosyl oxy-2,6-dihydroxyphenyl-3-3-hydroxy-4-methoxyphenyl PubChem CID: 30231 ChEBI: CHEBI:83535 IUPAC Name: 1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one SMILES: COC1=C(O)C=C(CCC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O)C=C1