Phenylpropanoids and polyketides
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3,4-Dimethoxycinnamic acid, 99%, predominantly trans isomer
CAS: 2316-26-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00004387 InChI Key: HJBWJAPEBGSQPR-GQCTYLIASA-N Synonym: 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid PubChem CID: 717531 ChEBI: CHEBI:86549 IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)OC
| PubChem CID | 717531 |
|---|---|
| CAS | 2316-26-9 |
| Molecular Weight (g/mol) | 208.21 |
| ChEBI | CHEBI:86549 |
| MDL Number | MFCD00004387 |
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)O)OC |
| Synonym | 3,4-dimethoxycinnamic acid,dimethylcaffeic acid,caffeic acid dimethyl ether,2e-3-3,4-dimethoxyphenyl prop-2-enoic acid,dimethyl caffeic acid,e-3-3,4-dimethoxyphenyl acrylic acid,e-3,4-dimethoxycinnamic acid,unii-bvz841pvjl,2e-3-3,4-dimethoxyphenyl acrylic acid,3-3,4-dimethoxyphenyl acrylic acid |
| IUPAC Name | (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid |
| InChI Key | HJBWJAPEBGSQPR-GQCTYLIASA-N |
| Molecular Formula | C11H12O4 |
2-Fluorocinnamic acid, predominantly trans, 98%
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 |
Paraffin, pure, wax, granular
CAS: 8002-74-2 Molecular Formula: CnH2n+2 Molecular Weight (g/mol): 341.451 MDL Number: MFCD00132833 InChI Key: JWHAUXFOSRPERK-UHFFFAOYSA-N Synonym: propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn PubChem CID: 4932 ChEBI: CHEBI:63619 IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
| PubChem CID | 4932 |
|---|---|
| CAS | 8002-74-2 |
| Molecular Weight (g/mol) | 341.451 |
| ChEBI | CHEBI:63619 |
| MDL Number | MFCD00132833 |
| SMILES | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O |
| Synonym | propafenone,rythmol,propafenona,propafenonum,propafenonum inn-latin,propafenona inn-spanish,propafenone inn:ban,gnf-pf-4594,propafenone-hcl,propafenone inn |
| IUPAC Name | 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one |
| InChI Key | JWHAUXFOSRPERK-UHFFFAOYSA-N |
| Molecular Formula | CnH2n+2 |
5Z-7-Oxozeaenol
CAS: 66018-38-0 Molecular Formula: C19H22O7 Molecular Weight (g/mol): 362.378 MDL Number: MFCD12912700 InChI Key: NEQZWEXWOFPKOT-UHFFFAOYSA-N Synonym: 8,9,16-trihydroxy-14-methoxy-3-methyl-4,8,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,7-dione PubChem CID: 53442201 IUPAC Name: 5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione SMILES: CC1CC=CC(=O)C(C(CC=CC2=CC(=CC(=C2C(=O)O1)O)OC)O)O
| PubChem CID | 53442201 |
|---|---|
| CAS | 66018-38-0 |
| Molecular Weight (g/mol) | 362.378 |
| MDL Number | MFCD12912700 |
| SMILES | CC1CC=CC(=O)C(C(CC=CC2=CC(=CC(=C2C(=O)O1)O)OC)O)O |
| Synonym | 8,9,16-trihydroxy-14-methoxy-3-methyl-4,8,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,7-dione |
| IUPAC Name | 5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione |
| InChI Key | NEQZWEXWOFPKOT-UHFFFAOYSA-N |
| Molecular Formula | C19H22O7 |
Avobenzone, 97%, Spectrum™ Chemical
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CAS: 70356-09-1 Molecular Formula: C20H22O3 Molecular Weight (g/mol): 310.39 MDL Number: MFCD00210252 InChI Key: XNEFYCZVKIDDMS-UHFFFAOYSA-N IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C
| CAS | 70356-09-1 |
|---|---|
| Molecular Weight (g/mol) | 310.39 |
| MDL Number | MFCD00210252 |
| SMILES | COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C |
| IUPAC Name | 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione |
| InChI Key | XNEFYCZVKIDDMS-UHFFFAOYSA-N |
| Molecular Formula | C20H22O3 |
6-Hydroxyflavanone, 98+%
CAS: 4250-77-5 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.258 MDL Number: MFCD00017485 InChI Key: XYHWPQUEOOBIOW-UHFFFAOYSA-N Synonym: 6-hydroxyflavanone,6-hydroxy-2-phenylchroman-4-one,6-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,6-hydroxy-flavanone,4h-1-benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl,6-hydroxy-2-phenyl-chroman-4-one,flavanone, 6-hydroxy,+/--6-hydroxyflavanone,acmc-209jpu PubChem CID: 2734580 ChEBI: CHEBI:34471 IUPAC Name: 6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3
| PubChem CID | 2734580 |
|---|---|
| CAS | 4250-77-5 |
| Molecular Weight (g/mol) | 240.258 |
| ChEBI | CHEBI:34471 |
| MDL Number | MFCD00017485 |
| SMILES | C1C(OC2=C(C1=O)C=C(C=C2)O)C3=CC=CC=C3 |
| Synonym | 6-hydroxyflavanone,6-hydroxy-2-phenylchroman-4-one,6-hydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one,6-hydroxy-flavanone,4h-1-benzopyran-4-one, 2,3-dihydro-6-hydroxy-2-phenyl,6-hydroxy-2-phenyl-chroman-4-one,flavanone, 6-hydroxy,+/--6-hydroxyflavanone,acmc-209jpu |
| IUPAC Name | 6-hydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| InChI Key | XYHWPQUEOOBIOW-UHFFFAOYSA-N |
| Molecular Formula | C15H12O3 |
6-Aminocoumarin hydrochloride, 97%
CAS: 63989-79-7 Molecular Formula: C9H8ClNO2 Molecular Weight (g/mol): 197.62 MDL Number: MFCD00082671 InChI Key: OSIGAIXSSYAHEG-UHFFFAOYSA-N Synonym: 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1 PubChem CID: 356789 IUPAC Name: 6-aminochromen-2-one;hydrochloride SMILES: [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1
| PubChem CID | 356789 |
|---|---|
| CAS | 63989-79-7 |
| Molecular Weight (g/mol) | 197.62 |
| MDL Number | MFCD00082671 |
| SMILES | [Cl-].[NH3+]C1=CC=C2OC(=O)C=CC2=C1 |
| Synonym | 6-aminocoumarin hydrochloride,6-amino-2h-chromen-2-one hydrochloride,6-aminochromen-2-one hydrochloride,2-oxochromen-6-yl azanium chloride,6-aminocoumarin hci,acmc-20am07,6-amino-chromen-2-one hydrochloride,2-oxochromen-6-yl ammonium chloride,6-amino-2h-chromen-2-one hydrochloride 1:1 |
| IUPAC Name | 6-aminochromen-2-one;hydrochloride |
| InChI Key | OSIGAIXSSYAHEG-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClNO2 |
3,3',4',7-Tetrahydroxyflavone, 96%
CAS: 528-48-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 MDL Number: MFCD00006829 InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N Synonym: fisetin,viset,5-desoxyquercetin,fustel,2-3,4-dihydroxyphenyl-3,7-dihydroxy-4h-chromen-4-one,fisetholz,superfustel,cotinin,fietin,fustet PubChem CID: 5281614 ChEBI: CHEBI:42567 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
| PubChem CID | 5281614 |
|---|---|
| CAS | 528-48-3 |
| Molecular Weight (g/mol) | 286.239 |
| ChEBI | CHEBI:42567 |
| MDL Number | MFCD00006829 |
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O |
| Synonym | fisetin,viset,5-desoxyquercetin,fustel,2-3,4-dihydroxyphenyl-3,7-dihydroxy-4h-chromen-4-one,fisetholz,superfustel,cotinin,fietin,fustet |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one |
| InChI Key | XHEFDIBZLJXQHF-UHFFFAOYSA-N |
| Molecular Formula | C15H10O6 |
Paraffin Oil Heavy, MilliporeSigma™
CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *
| PubChem CID | 68245 |
|---|---|
| CAS | 8012-95-1 |
| Molecular Weight (g/mol) | 0.00 |
| ChEBI | CHEBI:38701 |
| MDL Number | MFCD00131611 |
| SMILES | * |
| Synonym | delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride |
| IUPAC Name | 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride |
| InChI Key | FFNDMZIBVDSQFI-UHFFFAOYSA-N |
| Molecular Formula | MFCD00131611 |
7-Hydroxyflavone, 98%
CAS: 6665-86-7 Molecular Formula: C15H10O3 Molecular Weight (g/mol): 238.242 MDL Number: MFCD00006835 InChI Key: MQGPSCMMNJKMHQ-UHFFFAOYSA-N Synonym: 7-hydroxyflavone,flavone, 7-hydroxy,7-hydroxy-2-phenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-2-phenyl,7-hydroxy-2-phenyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 7-hydroxy,unii-ze72458e4l,7-hydroxy-2-phenyl-chromen-4-one,7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,7-hydroxyflavone, 11 PubChem CID: 5281894 ChEBI: CHEBI:2268 IUPAC Name: 7-hydroxy-2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O
| PubChem CID | 5281894 |
|---|---|
| CAS | 6665-86-7 |
| Molecular Weight (g/mol) | 238.242 |
| ChEBI | CHEBI:2268 |
| MDL Number | MFCD00006835 |
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O |
| Synonym | 7-hydroxyflavone,flavone, 7-hydroxy,7-hydroxy-2-phenyl-4-benzopyrone,4h-1-benzopyran-4-one, 7-hydroxy-2-phenyl,7-hydroxy-2-phenyl-4h-chromen-4-one,4h-1-benzopyran-4-one, 7-hydroxy,unii-ze72458e4l,7-hydroxy-2-phenyl-chromen-4-one,7-hydroxy-2-phenyl-4h-1-benzopyran-4-one,7-hydroxyflavone, 11 |
| IUPAC Name | 7-hydroxy-2-phenylchromen-4-one |
| InChI Key | MQGPSCMMNJKMHQ-UHFFFAOYSA-N |
| Molecular Formula | C15H10O3 |
4-Chloro-3-nitrocinnamic acid, 98%
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
| PubChem CID | 688108 |
|---|---|
| CAS | 20797-48-2 |
| Molecular Weight (g/mol) | 227.6 |
| MDL Number | MFCD00063311 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])Cl |
| 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 |
| InChI Key | QBDALTIMHOITIU-DUXPYHPUSA-N |
| Molecular Formula | C9H6ClNO4 |
(R)-(-)-2-Phenylpropionic acid, 97%
CAS: 7782-26-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 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) | 150.177 |
| 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 |
1,4-Benzenediacrylic acid, 98%, Thermo Scientific Chemicals
CAS: 16323-43-6 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00002698 InChI Key: AAFXQFIGKBLKMC-KQQUZDAGSA-N Synonym: 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid PubChem CID: 759280 IUPAC Name: (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O
| PubChem CID | 759280 |
|---|---|
| CAS | 16323-43-6 |
| Molecular Weight (g/mol) | 218.208 |
| MDL Number | MFCD00002698 |
| SMILES | C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O |
| Synonym | 1,4-benzenediacrylic acid,1,4-phenylenediacrylic acid,p-phenylenediacrylic acid,p-benzenediacrylic acid,unii-0f7e4o8q8y,3,3'-1,4-phenylene bis-2-propenoic acid,3,3'-p-phenylene diacrylic acid,2e-3-4-1e-2-carboxyeth-1-en-1-yl phenyl prop-2-enoic acid,2'e-3,3'-benzene-1,4-diylbisprop-2-enoic acid,3,3'-benzene-1,4-diylbisprop-2-enoic acid |
| IUPAC Name | (E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid |
| InChI Key | AAFXQFIGKBLKMC-KQQUZDAGSA-N |
| Molecular Formula | C12H10O4 |
4',5,7-Trihydroxyisoflavone, 99+%
CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
| PubChem CID | 5280961 |
|---|---|
| CAS | 446-72-0 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:28088 |
| MDL Number | MFCD00016952 |
| SMILES | OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O |
| Synonym | genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one |
| InChI Key | TZBJGXHYKVUXJN-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
Genistein, MP Biomedicals™
CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
| PubChem CID | 5280961 |
|---|---|
| CAS | 446-72-0 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:28088 |
| MDL Number | MFCD00016952 |
| SMILES | OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O |
| Synonym | genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one |
| InChI Key | TZBJGXHYKVUXJN-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |