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Flavonoids

Polyphenolic organic compounds that have 15 carbons with the general structure of two phenyl rings and a heterocyclic ring, or a ring with two or more atoms. Flavonoids are a class of polyphenolic plant and fungus secondary metabolites.

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Rutin, 97+%

CAS: 207671-50-9 Molecular Formula: C27H30O16 Molecular Weight (g/mol): 610.52 MDL Number: MFCD01319140 InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N Synonym: rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid PubChem CID: 5280805 ChEBI: CHEBI:28527 IUPAC Name: 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

EDGE
PubChem CID 5280805
CAS 207671-50-9
Molecular Weight (g/mol) 610.52
ChEBI CHEBI:28527
MDL Number MFCD01319140
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
Synonym rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid
IUPAC Name 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
InChI Key IKGXIBQEEMLURG-NVPNHPEKSA-N
Molecular Formula C27H30O16
3

Chrysin, 99+%

CAS: 480-40-0 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 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

PubChem CID 5281607
CAS 480-40-0
Molecular Weight (g/mol) 254.24
ChEBI CHEBI:75095
MDL Number MFCD00006834
SMILES C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
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
IUPAC Name 5,7-dihydroxy-2-phenylchromen-4-one
InChI Key RTIXKCRFFJGDFG-UHFFFAOYSA-N
Molecular Formula C15H10O4
5

Thermo Scientific Chemicals Hesperidin, 90+%

CAS: 520-26-3 Molecular Formula: C28H34O15 Molecular Weight (g/mol): 610.57 MDL Number: MFCD00075663 InChI Key: QUQPHWDTPGMPEX-QJBIFVCTSA-N PubChem CID: 45358131 SMILES: COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1

PubChem CID 45358131
CAS 520-26-3
Molecular Weight (g/mol) 610.57
MDL Number MFCD00075663
SMILES COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1
InChI Key QUQPHWDTPGMPEX-QJBIFVCTSA-N
Molecular Formula C28H34O15
6

Thermo Scientific Chemicals Fisetin

CAS: 528-48-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one SMILES: OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

CAS 528-48-3
Molecular Weight (g/mol) 286.24
SMILES OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one
InChI Key XHEFDIBZLJXQHF-UHFFFAOYSA-N
Molecular Formula C15H10O6
7

(S)-Naringenin, TRC

CAS: 480-41-1 Molecular Formula: C15 H12 O5 Molecular Weight (g/mol): 272.25 Synonym: Naringenin IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one SMILES: O=C1C[C@@H](C2=CC=C(O)C=C2)OC3=C1C(O)=CC(O)=C3

CAS 480-41-1
Molecular Weight (g/mol) 272.25
SMILES O=C1C[C@@H](C2=CC=C(O)C=C2)OC3=C1C(O)=CC(O)=C3
Synonym Naringenin
IUPAC Name (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular Formula C15 H12 O5
8

rac-Pinocembrin, TRC

CAS: 68745-38-0 Molecular Formula: C15 H12 O4 Molecular Weight (g/mol): 256.25 Synonym: Flavanone, 5,7-dihydroxy- (7CI),2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one,(±)-5,7-Dihydroxyflavanone,(±)-Pinocembrin,NSC 43318,rac-Pinocembrin IUPAC Name: 5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3

CAS 68745-38-0
Molecular Weight (g/mol) 256.25
SMILES Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3
Synonym Flavanone, 5,7-dihydroxy- (7CI),2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one,(±)-5,7-Dihydroxyflavanone,(±)-Pinocembrin,NSC 43318,rac-Pinocembrin
IUPAC Name 5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular Formula C15 H12 O4
9

Pelargonidin, TRC

CAS: 134-04-3 Molecular Formula: C15 H11 O5 . Cl Molecular Weight (g/mol): 306.7 Synonym: 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride (9CI),Flavylium, 3,4',5,7-tetrahydroxy-, chloride (8CI),Pelargonidin (6CI),3,4',5,7-Tetrahydroxyflavylium chloride,Pelargonidin chloride,Pelargonidol chloride IUPAC Name: 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: [Cl-].Oc1ccc(cc1)c2[o+]c3cc(O)cc(O)c3cc2O

CAS 134-04-3
Molecular Weight (g/mol) 306.7
SMILES [Cl-].Oc1ccc(cc1)c2[o+]c3cc(O)cc(O)c3cc2O
Synonym 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride (9CI),Flavylium, 3,4',5,7-tetrahydroxy-, chloride (8CI),Pelargonidin (6CI),3,4',5,7-Tetrahydroxyflavylium chloride,Pelargonidin chloride,Pelargonidol chloride
IUPAC Name 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride
Molecular Formula C15 H11 O5 . Cl
10

Apigenin-7-O-sulfate Potassium Salt, TRC

CAS: 120562-19-8 Molecular Formula: C15H9KO8S Molecular Weight (g/mol): 388.39 Synonym: 5-Hydroxy-2-(4-hydroxyphenyl)-7-(sulfooxy)-4H-1-benzopyran-4-one Potassium Salt; IUPAC Name: potassium;[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] sulfate SMILES: [K+].Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(OS(=O)(=O)[O-])cc3O2

CAS 120562-19-8
Molecular Weight (g/mol) 388.39
SMILES [K+].Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(OS(=O)(=O)[O-])cc3O2
Synonym 5-Hydroxy-2-(4-hydroxyphenyl)-7-(sulfooxy)-4H-1-benzopyran-4-one Potassium Salt;
IUPAC Name potassium;[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] sulfate
Molecular Formula C15H9KO8S
11

Pinobanksin, TRC

CAS: 548-82-3 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.25 Synonym: (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,3,5,7-Trihydroxyflavanone,(2R,3R)-Pinobanksin,3,5,7-Trihydroxyflavanone,Dihydrogalangin IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3

CAS 548-82-3
Molecular Weight (g/mol) 272.25
SMILES O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3
Synonym (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,3,5,7-Trihydroxyflavanone,(2R,3R)-Pinobanksin,3,5,7-Trihydroxyflavanone,Dihydrogalangin
IUPAC Name (2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular Formula C15H12O5
12

Cimicoxib, TRC

CAS: 265114-23-6 Molecular Formula: C16 H13 Cl F N3 O3 S Molecular Weight (g/mol): 381.81 Synonym: 4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamide,4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide,UR 8880 IUPAC Name: 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide SMILES: COc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N

CAS 265114-23-6
Molecular Weight (g/mol) 381.81
SMILES COc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N
Synonym 4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamide,4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide,UR 8880
IUPAC Name 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
Molecular Formula C16 H13 Cl F N3 O3 S
13

3'-O-Methylcatechin, TRC

CAS: 60383-97-3 Molecular Formula: C16H16O6 Molecular Weight (g/mol): 304.29 Synonym: (2R,3S)-3,4-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol,(2R-trans)-3,4-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol,3'-O-Methyl-(+)-catechin,3'-O-Methylcyanidanol; IUPAC Name: (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: COc1cc(ccc1O)[C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O

CAS 60383-97-3
Molecular Weight (g/mol) 304.29
SMILES COc1cc(ccc1O)[C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O
Synonym (2R,3S)-3,4-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol,(2R-trans)-3,4-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol,3'-O-Methyl-(+)-catechin,3'-O-Methylcyanidanol;
IUPAC Name (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Formula C16H16O6
14

Kaempferol, TRC

CAS: 520-18-3 Molecular Formula: C15 H10 O6 Molecular Weight (g/mol): 286.24 Synonym: Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI),3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,3,4',5,7-Tetrahydroxyflavone,3,5,7,4'-Tetrahydroxyflavone,3'-Deoxyquercetin,5,7,4'-Trihydroxyflavonol,C.I. 75640,CSU 2056,Indigo Yellow,Kaemferol,Kaempferol,Kaempherol,Kampcetin,Kempferol,NSC 407289,NSC 656277,Nimbecetin,Pelargidenolon,Pelargidenon,Populnetin,Rhamnolutein,Rhamnolutin,Robigenin,Swartziol,Trifolitin IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3

CAS 520-18-3
Molecular Weight (g/mol) 286.24
SMILES OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3
Synonym Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI),3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,3,4',5,7-Tetrahydroxyflavone,3,5,7,4'-Tetrahydroxyflavone,3'-Deoxyquercetin,5,7,4'-Trihydroxyflavonol,C.I. 75640,CSU 2056,Indigo Yellow,Kaemferol,Kaempferol,Kaempherol,Kampcetin,Kempferol,NSC 407289,NSC 656277,Nimbecetin,Pelargidenolon,Pelargidenon,Populnetin,Rhamnolutein,Rhamnolutin,Robigenin,Swartziol,Trifolitin
IUPAC Name 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Formula C15 H10 O6
15

Jaceosidin, TRC

CAS: 18085-97-7 Molecular Formula: C17H14O7 Molecular Weight (g/mol): 330.29 Synonym: 4',5,7-Trihydroxy-3',6-dimethoxy-flavone,5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one,3',6-Dimethoxy-4',5,7-trihydroxyflavone,4',5,7-Trihydroxy-3',6-dimethoxyflavone,4'-Demethyleupatilin,5,7,4'-Trihydroxy-6,3'-dimethoxyflavone; IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one SMILES: COc1cc(ccc1O)C2=CC(=O)c3c(O)c(OC)c(O)cc3O2

CAS 18085-97-7
Molecular Weight (g/mol) 330.29
SMILES COc1cc(ccc1O)C2=CC(=O)c3c(O)c(OC)c(O)cc3O2
Synonym 4',5,7-Trihydroxy-3',6-dimethoxy-flavone,5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one,3',6-Dimethoxy-4',5,7-trihydroxyflavone,4',5,7-Trihydroxy-3',6-dimethoxyflavone,4'-Demethyleupatilin,5,7,4'-Trihydroxy-6,3'-dimethoxyflavone;
IUPAC Name 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one
Molecular Formula C17H14O7