Phenylpropanoids and polyketides
Diosmin
CAS: 520-27-4 Formule moléculaire: C28H32O15 Poids moléculaire (g/mol): 608.549 Numéro MDL: MFCD00009772 Clé InChI: GZSOSUNBTXMUFQ-YFAPSIMESA-N Synonyme: diosmin,barosmin,diosmine,venosmine,diosmil,flebosten,daflon,diosimin,diosminum,tovene CID PubChem: 5281613 ChEBI: CHEBI:4631 Nom IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
alpha-Methylcinnamaldehyde, predominantly (E), 97%
CAS: 101-39-3 Formule moléculaire: C10H10O Poids moléculaire (g/mol): 146.19 Numéro MDL: MFCD00006976 Clé InChI: VLUMOWNVWOXZAU-CLFYSBASSA-N Synonyme: alpha-methylcinnamaldehyde,a-methylcinnamaldehyde,2-propenal, 2-methyl-3-phenyl,2-methyl-3-phenylprop-2-enal,e-2-methyl-3-phenylpropenal,2-methyl-3-phenylacrylaldehyde,e-2-methyl-3-phenylacrylaldehyde,2-methyl-3-phenyl-2-propenal,2-methyl-3-phenylacrolein,alpha-methyl-trans-cinnamaldehyde CID PubChem: 5372813 SMILES: C\C(C=O)=C\C1=CC=CC=C1
4',7-Dihydroxyisoflavone, 98+%
CAS: 486-66-8 Formule moléculaire: C15H10O4 Poids moléculaire (g/mol): 254.241 Numéro MDL: MFCD00016954 Clé InChI: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonyme: daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone CID PubChem: 5281708 ChEBI: CHEBI:28197 Nom IUPAC: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
3',5-Dihydroxy-4',6,7-trimethoxyflavone, 97%
CAS: 855-96-9 Formule moléculaire: C18H16O7 Poids moléculaire (g/mol): 344.319 Numéro MDL: MFCD00016929 Clé InChI: KLAOKWJLUQKWIF-UHFFFAOYSA-N Synonyme: eupatorin,3',5-dihydroxy-4',6,7-trimethoxyflavone,eupatorine,5-hydroxy-2-3-hydroxy-4-methoxyphenyl-6,7-dimethoxy-4h-chromen-4-one,unii-3j474av6my,5-hydroxy-2-3-hydroxy-4-methoxyphenyl-6,7-dimethoxy-4h-1-benzopyran-4-one,6-methoxyluteolin 4',7-dimethyl ether,5-hydroxy-2-3-hydroxy-4-methoxyphenyl-6,7-dimethoxychromen-4-one,kinome_3214,spectrum_001037 CID PubChem: 97214 Nom IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)O
DL-2-Phenylpropionic acid, 98%
CAS: 492-37-5 Numéro MDL: MFCD00002650 Clé InChI: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonyme: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid CID PubChem: 10296 ChEBI: CHEBI:48526 Nom IUPAC: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O
3-(3-Hydroxyphenyl)propionic acid, 98+%
CAS: 621-54-5 Formule moléculaire: C9H10O3 Poids moléculaire (g/mol): 166.176 Numéro MDL: MFCD00016554 Clé InChI: QVWAEZJXDYOKEH-UHFFFAOYSA-N Synonyme: 3-3-hydroxyphenyl propanoic acid,3-3-hydroxyphenyl propionic acid,dihydro-3-coumaric acid,benzenepropanoic acid, 3-hydroxy,3-m-hydroxyphenyl propionic acid,3-hydroxybenzenepropanoic acid,3-hydroxyphenylpropionic acid,m-hydroxyphenylpropionic acid,beta-m-hydroxyphenyl propionic acid,hydrocinnamic acid, m-hydroxy CID PubChem: 91 ChEBI: CHEBI:1427 Nom IUPAC: 3-(3-hydroxyphenyl)propanoic acid SMILES: C1=CC(=CC(=C1)O)CCC(=O)O
3',4',7,8-Tetramethoxyflavone, 97%
CAS: 65548-55-2 Formule moléculaire: C19H18O6 Poids moléculaire (g/mol): 342.347 Numéro MDL: MFCD00143001 Clé InChI: ZRLWYUNKZNRQLO-UHFFFAOYSA-N Synonyme: 3',4',7,8-tetramethoxyflavone,2-3,4-dimethoxyphenyl-7,8-dimethoxy-4h-chromen-4-one,2-3,4-dimethoxyphenyl-7,8-dimethoxychromen-4-one,4h-1-benzopyran-4-one, 2-3,4-dimethoxyphenyl-7,8-dimethoxy,2-3,4-dimethoxy-phenyl-7,8-dimethoxy-chromen-4-one,acmc-1b8pz,7,8,3',4'-tetramethoxyflavone,7,8-dimethoxy-2-3,4-dimethoxyphenyl-4h-chromen-4-one CID PubChem: 4033898 Nom IUPAC: 2-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)OC)OC)OC
Quercetin hydrate, 95%
CAS: 849061-97-8 Formule moléculaire: C15H10O7 Poids moléculaire (g/mol): 302.24 Numéro MDL: MFCD03847906 Clé InChI: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonyme: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate CID PubChem: 16212154 Nom IUPAC: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
Genistin, 99+%, Thermo Scientific Chemicals
CAS: 529-59-9 Formule moléculaire: C21H20O10 Poids moléculaire (g/mol): 432.381 Numéro MDL: MFCD00016883 Clé InChI: ZCOLJUOHXJRHDI-CMWLGVBASA-N Synonyme: genistin,genistine,genisteol 7-monoglucoside,genistoside,genistein 7-glucoside,glucosyl-7-genistein,genistein 7-o-beta-d-glucoside,unii-1pog3scn5t,genistein glucoside,genistein-7-glucoside CID PubChem: 5281377 ChEBI: CHEBI:27514 Nom IUPAC: 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
3-(3-Methoxyphenyl)propionic acid, 98+%
CAS: 10516-71-9 Formule moléculaire: C10H12O3 Poids moléculaire (g/mol): 180.20 Numéro MDL: MFCD00014027 Clé InChI: BJJQJLOZWBZEGA-UHFFFAOYSA-N Synonyme: 3-3-methoxyphenyl propionic acid,3-3-methoxyphenyl propanoic acid,3-m-methoxyphenyl propionic acid,3-methoxybenzenepropanoic acid,benzenepropanoic acid, 3-methoxy,3-3-methoxy-phenyl-propionic acid,3-methoxy-benzenepropanoic acid,3-3-methoxyphenyl propanoate,m-methoxyhydrocinnamate,3-methoxydihydrocinnamate CID PubChem: 66336 Nom IUPAC: 3-(3-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC(CCC(O)=O)=C1
(+/-)-Phenylsuccinic acid, 98%
CAS: 635-51-8 Formule moléculaire: C10H10O4 Poids moléculaire (g/mol): 194.186 Numéro MDL: MFCD00004256 Clé InChI: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonyme: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl CID PubChem: 95459 Nom IUPAC: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
7-Diethylamino-4-methylcoumarin, 99%
CAS: 91-44-1 Formule moléculaire: C14H17NO2 Poids moléculaire (g/mol): 231.295 Numéro MDL: MFCD00006864 Clé InChI: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonyme: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p CID PubChem: 7050 ChEBI: CHEBI:51938 Nom IUPAC: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
5,7-Dihydroxy-4-methylcoumarin, 98%
CAS: 2107-76-8 Formule moléculaire: C10H8O4 Poids moléculaire (g/mol): 192.17 Numéro MDL: MFCD00016966 Clé InChI: QNVWGEJMXOQQPM-UHFFFAOYSA-N Synonyme: 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m CID PubChem: 5354284 Nom IUPAC: 5,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O
Rutin, 97+%
CAS: 207671-50-9 Formule moléculaire: C27H30O16 Poids moléculaire (g/mol): 610.52 Numéro MDL: MFCD01319140 Clé InChI: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonyme: rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid CID PubChem: 5280805 ChEBI: CHEBI:28527 Nom IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
3,4,5-Trimethoxycinnamic acid, predominantly trans, 99%
CAS: 90-50-6 Formule moléculaire: C12H14O5 Poids moléculaire (g/mol): 238.239 Numéro MDL: MFCD00004388 Clé InChI: YTFVRYKNXDADBI-SNAWJCMRSA-N Synonyme: 3,4,5-trimethoxycinnamic acid,o-methylsinapic acid,3,4,5-trimethoxyphenylacrylic acid,3-3,4,5-trimethoxyphenyl acrylic acid,3-3,4,5-trimethoxyphenyl-2-propenoic acid,3,4,5-trimethoxy cinnamic acid,sinapic acid methyl ether,e-3-3,4,5-trimethoxyphenyl acrylic acid,cinnamic acid, 3,4,5-trimethoxy,2e-3-3,4,5-trimethoxyphenyl acrylic acid CID PubChem: 735755 Nom IUPAC: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)O