Phenylpropanoids and polyketides
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3-(3,4,5-Trimethoxyphenyl)propionic acid, 98%
CAS: 25173-72-2 Molecular Formula: C12H16O5 Molecular Weight (g/mol): 240.25 MDL Number: MFCD00002775 InChI Key: ZCYXGVJUZBKJAI-UHFFFAOYSA-N Synonym: 3-3,4,5-trimethoxyphenyl propanoic acid,3-3,4,5-trimethoxyphenyl propionic acid,benzenepropanoic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyhydrocinnamic acid,3,4,5-trimethoxydihydrocinnamic acid,3,4,5-trimethoxyphenylpropionic acid,3,4,5-trimethoxybenzenepropanoic acid,3,4,5-trimethoxy-benzenepropanoic acid,acmc-1cazt,maybridge1_005958 PubChem CID: 64860 ChEBI: CHEBI:583580 IUPAC Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid SMILES: COC1=CC(=CC(=C1OC)OC)CCC(=O)O
| PubChem CID | 64860 |
|---|---|
| CAS | 25173-72-2 |
| Molecular Weight (g/mol) | 240.25 |
| ChEBI | CHEBI:583580 |
| MDL Number | MFCD00002775 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CCC(=O)O |
| Synonym | 3-3,4,5-trimethoxyphenyl propanoic acid,3-3,4,5-trimethoxyphenyl propionic acid,benzenepropanoic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyhydrocinnamic acid,3,4,5-trimethoxydihydrocinnamic acid,3,4,5-trimethoxyphenylpropionic acid,3,4,5-trimethoxybenzenepropanoic acid,3,4,5-trimethoxy-benzenepropanoic acid,acmc-1cazt,maybridge1_005958 |
| IUPAC Name | 3-(3,4,5-trimethoxyphenyl)propanoic acid |
| InChI Key | ZCYXGVJUZBKJAI-UHFFFAOYSA-N |
| Molecular Formula | C12H16O5 |
2-Fluorocinnamic acid, 98%, Thermo Scientific™
CAS: 451-69-4 Molecular Formula: C9H7FO2 Molecular Weight (g/mol): 166.15 MDL Number: MFCD00004370 InChI Key: IOUDZAFBPDDAMK-AATRIKPKSA-N Synonym: 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid PubChem CID: 735833 IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=CC=C1F
| PubChem CID | 735833 |
|---|---|
| CAS | 451-69-4 |
| Molecular Weight (g/mol) | 166.15 |
| MDL Number | MFCD00004370 |
| SMILES | OC(=O)\C=C\C1=CC=CC=C1F |
| Synonym | 2-fluorocinnamic acid,o-fluorocinnamic acid,cinnamic acid, o-fluoro,2-propenoic acid, 3-2-fluorophenyl,2e-3-2-fluorophenyl prop-2-enoic acid,3-2-fluorophenyl acrylic acid,3-2-fluoro-phenyl-acrylic acid,2e-3-2-fluorophenyl acrylic acid,3-2-fluorophenyl-2-propenoic acid,trans-2-fluorocinnamic acid |
| IUPAC Name | (E)-3-(2-fluorophenyl)prop-2-enoic acid |
| InChI Key | IOUDZAFBPDDAMK-AATRIKPKSA-N |
| Molecular Formula | C9H7FO2 |
3,4-Dichlorocinnamic acid, 97%, Thermo Scientific™
CAS: 1202-39-7 Molecular Formula: C9H6Cl2O2 Molecular Weight (g/mol): 217.05 InChI Key: RRLUFPHCTSFKNR-DUXPYHPUSA-N Synonym: 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid PubChem CID: 688027 IUPAC Name: (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl
| PubChem CID | 688027 |
|---|---|
| CAS | 1202-39-7 |
| Molecular Weight (g/mol) | 217.05 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)Cl)Cl |
| Synonym | 3,4-dichlorocinnamic acid,e-3-3,4-dichlorophenyl acrylic acid,3',4'-dichlorocinnamic acid,2-propenoic acid, 3-3,4-dichlorophenyl,cinnamic acid, 3,4-dichloro,3-3,4-dichlorophenyl acrylic acid,2e-3-3,4-dichlorophenyl prop-2-enoic acid,3-3,4-dichlorophenyl-2-propenoic acid,e-3-3,4-dichlorophenyl prop-2-enoic acid,2e-3-3,4-dichlorophenyl acrylic acid |
| IUPAC Name | (E)-3-(3,4-dichlorophenyl)prop-2-enoic acid |
| InChI Key | RRLUFPHCTSFKNR-DUXPYHPUSA-N |
| Molecular Formula | C9H6Cl2O2 |
o-Nitrocinnamaldehyde, 98%
CAS: 1466-88-2 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00007188 InChI Key: VMSMELHEXDVEDE-HWKANZROSA-N Synonym: 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775 PubChem CID: 5367122 IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enal SMILES: C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-]
| PubChem CID | 5367122 |
|---|---|
| CAS | 1466-88-2 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00007188 |
| SMILES | C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-] |
| Synonym | 2-nitrocinnamaldehyde,3-2-nitrophenyl acrylaldehyde,o-nitrocinnamaldehyde,trans-2-nitrocinnamaldehyde,2e-3-2-nitrophenyl prop-2-enal,2-propenal, 3-2-nitrophenyl,e-3-2-nitrophenyl acrylaldehyde,e-3-2-nitrophenyl prop-2-enal,3-2-nitrophenyl prop-2-enal,ccris 3775 |
| IUPAC Name | (E)-3-(2-nitrophenyl)prop-2-enal |
| InChI Key | VMSMELHEXDVEDE-HWKANZROSA-N |
| Molecular Formula | C9H7NO3 |
Thermo Scientific Chemicals DL-2-Benzylserine, 97%
CAS: 4740-47-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD01863305 InChI Key: ZMNNAJIBOJDHAF-JTQLQIEISA-N Synonym: dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine PubChem CID: 7010088 IUPAC Name: (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid SMILES: C1=CC=C(C=C1)CC(CO)(C(=O)O)N
| PubChem CID | 7010088 |
|---|---|
| CAS | 4740-47-0 |
| Molecular Weight (g/mol) | 195.22 |
| MDL Number | MFCD01863305 |
| SMILES | C1=CC=C(C=C1)CC(CO)(C(=O)O)N |
| Synonym | dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine |
| IUPAC Name | (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid |
| InChI Key | ZMNNAJIBOJDHAF-JTQLQIEISA-N |
| Molecular Formula | C10H13NO3 |
D(+)-Phenyllactic acid, 98%
CAS: 7326-19-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00078062 InChI Key: VOXXWSYKYCBWHO-MRVPVSSYSA-N Synonym: r-2-hydroxy-3-phenylpropionic acid,r-2-hydroxy-3-phenylpropanoic acid,2r-2-hydroxy-3-phenylpropanoic acid,d-+-phenyllactic acid,d-+-3-phenyllactic acid,r-phenyllactate,r-+-3-phenyllactic acid,3-phenyl-d-lactic acid,r-3-phenyllactic acid,r-,a-hydroxy-3-phenylpropionic acid PubChem CID: 643327 ChEBI: CHEBI:32978 IUPAC Name: (2R)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@H](CC1=CC=CC=C1)C(O)=O
| PubChem CID | 643327 |
|---|---|
| CAS | 7326-19-4 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:32978 |
| MDL Number | MFCD00078062 |
| SMILES | O[C@H](CC1=CC=CC=C1)C(O)=O |
| Synonym | r-2-hydroxy-3-phenylpropionic acid,r-2-hydroxy-3-phenylpropanoic acid,2r-2-hydroxy-3-phenylpropanoic acid,d-+-phenyllactic acid,d-+-3-phenyllactic acid,r-phenyllactate,r-+-3-phenyllactic acid,3-phenyl-d-lactic acid,r-3-phenyllactic acid,r-,a-hydroxy-3-phenylpropionic acid |
| IUPAC Name | (2R)-2-hydroxy-3-phenylpropanoic acid |
| InChI Key | VOXXWSYKYCBWHO-MRVPVSSYSA-N |
| Molecular Formula | C9H10O3 |
Ochratoxin A, 99+%
CAS: 303-47-9 Molecular Formula: C20H18ClNO6 Molecular Weight (g/mol): 403.82 MDL Number: MFCD00078079 InChI Key: RWQKHEORZBHNRI-BMIGLBTASA-N Synonym: ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382 PubChem CID: 442530 ChEBI: CHEBI:7719 IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid SMILES: CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl
| PubChem CID | 442530 |
|---|---|
| CAS | 303-47-9 |
| Molecular Weight (g/mol) | 403.82 |
| ChEBI | CHEBI:7719 |
| MDL Number | MFCD00078079 |
| SMILES | CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl |
| Synonym | ochratoxin a,antibiotic 9663,phenylalanine-ochratoxin a,3r14s-ochratoxin a,ochratoxin a-bsa conjugate from aspergillus ochraceus,--n-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenylalanine,n-3r-5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl carbonyl-3-phenyl-l-alanine,unii-1779sx6luy,l-phenylalanine, n-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl carbonyl-, r,ccris 2382 |
| IUPAC Name | (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid |
| InChI Key | RWQKHEORZBHNRI-BMIGLBTASA-N |
| Molecular Formula | C20H18ClNO6 |
(S)-(+)-2-Phenylpropionic acid, 99%
CAS: 7782-24-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00063139 InChI Key: YPGCWEMNNLXISK-ZETCQYMHSA-N Synonym: s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc PubChem CID: 2724622 ChEBI: CHEBI:48527 IUPAC Name: (2S)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 2724622 |
|---|---|
| CAS | 7782-24-3 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:48527 |
| MDL Number | MFCD00063139 |
| SMILES | CC(C1=CC=CC=C1)C(=O)O |
| Synonym | s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc |
| IUPAC Name | (2S)-2-phenylpropanoic acid |
| InChI Key | YPGCWEMNNLXISK-ZETCQYMHSA-N |
| Molecular Formula | C9H10O2 |
(R)-(-)-2-Phenylpropionic acid, 99%
CAS: 7782-26-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00063140 InChI Key: YPGCWEMNNLXISK-SSDOTTSWSA-N Synonym: r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid PubChem CID: 446626 ChEBI: CHEBI:43035 IUPAC Name: (2R)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O
| PubChem CID | 446626 |
|---|---|
| CAS | 7782-26-5 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:43035 |
| MDL Number | MFCD00063140 |
| SMILES | CC(C1=CC=CC=C1)C(=O)O |
| Synonym | r---2-phenylpropionic acid,r-2-phenylpropanoic acid,2r-2-phenylpropanoic acid,r-hydratropic acid,--hydratropic acid,r---hydratropic acid,r---2-phenylpropionicacid,r-2-phenylpropionic acid,r-2-phenyl-propionic acid,r-2-phenyl-proprionic acid |
| IUPAC Name | (2R)-2-phenylpropanoic acid |
| InChI Key | YPGCWEMNNLXISK-SSDOTTSWSA-N |
| Molecular Formula | C9H10O2 |
Anisoin, 95%
CAS: 119-52-8 Molecular Formula: C16H16O4 Molecular Weight (g/mol): 272.30 MDL Number: MFCD00008411 InChI Key: LRRQSCPPOIUNGX-UHFFFAOYNA-N Synonym: anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one PubChem CID: 95415 IUPAC Name: 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1
| PubChem CID | 95415 |
|---|---|
| CAS | 119-52-8 |
| Molecular Weight (g/mol) | 272.30 |
| MDL Number | MFCD00008411 |
| SMILES | COC1=CC=C(C=C1)C(O)C(=O)C1=CC=C(OC)C=C1 |
| Synonym | anisoin,2-hydroxy-1,2-bis 4-methoxyphenyl ethanone,4,4'-dimethoxybenzoin,p-anisoin,ethanone, 2-hydroxy-1,2-bis 4-methoxyphenyl,benzoin, 4,4'-dimethoxy,p,p'-dimethoxybenzoin,benzoin,4'-dimethoxy,4,4'-anisoin,1,2-bis 4-methoxyphenyl-2-hydroxyethan-1-one |
| IUPAC Name | 2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone |
| InChI Key | LRRQSCPPOIUNGX-UHFFFAOYNA-N |
| Molecular Formula | C16H16O4 |
3-(4-Hydroxyphenyl)propionic acid, 98%
CAS: 501-97-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002778 InChI Key: NMHMNPHRMNGLLB-UHFFFAOYSA-N Synonym: 3-4-hydroxyphenyl propionic acid,phloretic acid,3-4-hydroxyphenyl propanoic acid,desaminotyrosine,hydro-p-coumaric acid,dihydro-p-coumaric acid,benzenepropanoic acid, 4-hydroxy,4-hydroxyphenylpropionic acid,p-hydroxyhydrocinnamic acid,3-p-hydroxyphenyl propionic acid PubChem CID: 10394 ChEBI: CHEBI:32980 IUPAC Name: 3-(4-hydroxyphenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)O
| PubChem CID | 10394 |
|---|---|
| CAS | 501-97-3 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:32980 |
| MDL Number | MFCD00002778 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)O |
| Synonym | 3-4-hydroxyphenyl propionic acid,phloretic acid,3-4-hydroxyphenyl propanoic acid,desaminotyrosine,hydro-p-coumaric acid,dihydro-p-coumaric acid,benzenepropanoic acid, 4-hydroxy,4-hydroxyphenylpropionic acid,p-hydroxyhydrocinnamic acid,3-p-hydroxyphenyl propionic acid |
| IUPAC Name | 3-(4-hydroxyphenyl)propanoic acid |
| InChI Key | NMHMNPHRMNGLLB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3,5-Difluorocinnamic acid, 98%, Thermo Scientific™
CAS: 84315-23-1 Molecular Formula: C9H6F2O2 Molecular Weight (g/mol): 184.14 MDL Number: MFCD00010321 InChI Key: MBAWRXICVNIUGY-OWOJBTEDSA-N Synonym: 3,5-difluorocinnamic acid,trans-3,5-difluorocinnamic acid,3,5-difluorocinnamicacid,e-3-3,5-difluorophenyl acrylic acid,3-3,5-difluorophenyl acrylic acid,2e-3-3,5-difluorophenyl prop-2-enoic acid,2e-3-3,5-difluorophenyl acrylic acid,rarechem bk hw 0255,timtec-bb sbb006675,3-3,5-difluorophenyl propenoic acid PubChem CID: 5374941 IUPAC Name: (E)-3-(3,5-difluorophenyl)prop-2-enoic acid SMILES: C1=C(C=C(C=C1F)F)C=CC(=O)O
| PubChem CID | 5374941 |
|---|---|
| CAS | 84315-23-1 |
| Molecular Weight (g/mol) | 184.14 |
| MDL Number | MFCD00010321 |
| SMILES | C1=C(C=C(C=C1F)F)C=CC(=O)O |
| Synonym | 3,5-difluorocinnamic acid,trans-3,5-difluorocinnamic acid,3,5-difluorocinnamicacid,e-3-3,5-difluorophenyl acrylic acid,3-3,5-difluorophenyl acrylic acid,2e-3-3,5-difluorophenyl prop-2-enoic acid,2e-3-3,5-difluorophenyl acrylic acid,rarechem bk hw 0255,timtec-bb sbb006675,3-3,5-difluorophenyl propenoic acid |
| IUPAC Name | (E)-3-(3,5-difluorophenyl)prop-2-enoic acid |
| InChI Key | MBAWRXICVNIUGY-OWOJBTEDSA-N |
| Molecular Formula | C9H6F2O2 |
2,3-Dibromo-3-phenylpropiophenone, 98%, Thermo Scientific™
CAS: 611-91-6 Molecular Formula: C15H12Br2O Molecular Weight (g/mol): 368.07 MDL Number: MFCD00017861 InChI Key: LYAGBKGGYRLVTR-UHFFFAOYNA-N PubChem CID: 95342 IUPAC Name: 2,3-dibromo-1,3-diphenylpropan-1-one SMILES: BrC(C(Br)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 95342 |
|---|---|
| CAS | 611-91-6 |
| Molecular Weight (g/mol) | 368.07 |
| MDL Number | MFCD00017861 |
| SMILES | BrC(C(Br)C1=CC=CC=C1)C(=O)C1=CC=CC=C1 |
| IUPAC Name | 2,3-dibromo-1,3-diphenylpropan-1-one |
| InChI Key | LYAGBKGGYRLVTR-UHFFFAOYNA-N |
| Molecular Formula | C15H12Br2O |
Formononetin, 98%
CAS: 485-72-3 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.27 MDL Number: MFCD00016948 InChI Key: HKQYGTCOTHHOMP-UHFFFAOYSA-N Synonym: formononetin,biochanin b,formononetol,7-hydroxy-4'-methoxyisoflavone,7-hydroxy-3-4-methoxyphenyl-4h-chromen-4-one,4'-o-methyldaidzein,7-hydroxy-3-4-methoxyphenyl chromen-4-one,unii-295dqc67bj,7-hydroxy-3-4-methoxyphenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-3-4-methoxyphenyl PubChem CID: 5280378 ChEBI: CHEBI:18088 IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O
| PubChem CID | 5280378 |
|---|---|
| CAS | 485-72-3 |
| Molecular Weight (g/mol) | 268.27 |
| ChEBI | CHEBI:18088 |
| MDL Number | MFCD00016948 |
| SMILES | COC1=CC=C(C=C1)C1=COC2=CC(O)=CC=C2C1=O |
| Synonym | formononetin,biochanin b,formononetol,7-hydroxy-4'-methoxyisoflavone,7-hydroxy-3-4-methoxyphenyl-4h-chromen-4-one,4'-o-methyldaidzein,7-hydroxy-3-4-methoxyphenyl chromen-4-one,unii-295dqc67bj,7-hydroxy-3-4-methoxyphenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-3-4-methoxyphenyl |
| IUPAC Name | 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one |
| InChI Key | HKQYGTCOTHHOMP-UHFFFAOYSA-N |
| Molecular Formula | C16H12O4 |
Thermo Scientific Chemicals Acacetin
CAS: 480-44-4 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 InChI Key: DANYIYRPLHHOCZ-UHFFFAOYSA-N IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
| CAS | 480-44-4 |
|---|---|
| Molecular Weight (g/mol) | 284.27 |
| SMILES | COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 |
| IUPAC Name | 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
| InChI Key | DANYIYRPLHHOCZ-UHFFFAOYSA-N |
| Molecular Formula | C16H12O5 |