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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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1

Liquiritigenin, Thermo Scientific™

Boiling Point 530°C (760 mmHg)
Molecular Weight (g/mol) 256.26
Color Beige to White
Physical Form Crystals or Powder
Chemical Name or Material Liquiritigenin
CAS 578-86-9
Infrared Spectrum Conforms
MDL Number 00287289
Packaging Glass bottle
Health Hazard 1 Exclamation mark
Alpha Vector LIQUIRITIGENIN
Synonym 4 ',7-Dihydroxyflavanone
Recommended Storage Refrigerator +4°C
Shelf Life 3 years
Molecular Formula C15 H12 O4
2

Kaempferol, 98+%, Thermo Scientific Chemicals

CAS: 520-18-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.24 MDL Number: MFCD00016938 InChI Key: IYRMWMYZSQPJKC-UHFFFAOYSA-N Synonym: kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol PubChem CID: 5280863 ChEBI: CHEBI:28499 SMILES: OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

PubChem CID 5280863
CAS 520-18-3
Molecular Weight (g/mol) 286.24
ChEBI CHEBI:28499
MDL Number MFCD00016938
SMILES OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
Synonym kaempferol,kaempherol,kempferol,populnetin,rhamnolutein,robigenin,trifolitin,pelargidenolon,rhamnolutin,swartziol
InChI Key IYRMWMYZSQPJKC-UHFFFAOYSA-N
Molecular Formula C15H10O6
3

2',3-Dihydroxyflavone, 97%, Thermo Scientific Chemicals

CAS: 6068-76-4 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00017674 InChI Key: VECGDSZOFMYGAF-UHFFFAOYSA-N Synonym: 3,2'-dihydroxyflavone,2',3-dihydroxyflavone,3-hydroxy-2-2-hydroxyphenyl-4h-chromen-4-one,2'-hydroxyflavonol,3-hydroxy-2-2-hydroxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-2-hydroxyphenyl,2'3-dioh-flavone,3,2'-dihydroxy flavone,acmc-1b19t,7,8-dihydroxyflavone-derivative-1 PubChem CID: 455313 IUPAC Name: 3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=CC=C1C1=C(O)C(=O)C2=CC=CC=C2O1

PubChem CID 455313
CAS 6068-76-4
Molecular Weight (g/mol) 254.24
MDL Number MFCD00017674
SMILES OC1=CC=CC=C1C1=C(O)C(=O)C2=CC=CC=C2O1
Synonym 3,2'-dihydroxyflavone,2',3-dihydroxyflavone,3-hydroxy-2-2-hydroxyphenyl-4h-chromen-4-one,2'-hydroxyflavonol,3-hydroxy-2-2-hydroxyphenyl chromen-4-one,4h-1-benzopyran-4-one, 3-hydroxy-2-2-hydroxyphenyl,2'3-dioh-flavone,3,2'-dihydroxy flavone,acmc-1b19t,7,8-dihydroxyflavone-derivative-1
IUPAC Name 3-hydroxy-2-(2-hydroxyphenyl)chromen-4-one
InChI Key VECGDSZOFMYGAF-UHFFFAOYSA-N
Molecular Formula C15H10O4
4

Thermo Scientific Chemicals Tebuconazole

CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.82 MDL Number: MFCD02674797 InChI Key: PXMNMQRDXWABCY-UHFFFAOYNA-N IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol SMILES: CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1

CAS 107534-96-3
Molecular Weight (g/mol) 307.82
MDL Number MFCD02674797
SMILES CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
IUPAC Name 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol
InChI Key PXMNMQRDXWABCY-UHFFFAOYNA-N
Molecular Formula C16H22ClN3O
5

Thermo Scientific Chemicals Repaglinide

CAS: 135062-02-1 Molecular Formula: C27H36N2O4 Molecular Weight (g/mol): 452.60 MDL Number: MFCD00906179 InChI Key: FAEKWTJYAYMJKF-QHCPKHFHSA-N IUPAC Name: 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid SMILES: CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O

CAS 135062-02-1
Molecular Weight (g/mol) 452.60
MDL Number MFCD00906179
SMILES CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O
IUPAC Name 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid
InChI Key FAEKWTJYAYMJKF-QHCPKHFHSA-N
Molecular Formula C27H36N2O4
6

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
7

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
8

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
11

7-Methoxyflavone, 99%, Thermo Scientific™

CAS: 22395-22-8 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD00017462 InChI Key: QKNDCRMJDZLFEG-UHFFFAOYSA-N Synonym: 7-methoxyflavone,7-methoxy-2-phenyl-4h-chromen-4-one,flavone, 7-methoxy,unii-xk561ap5ur,7-methoxy-2-phenyl-chromen-4-one,xk561ap5ur,7-methoxy-2-phenylchromone,7-methoxy flavone,7-methoxy-2-phenyl-4h-benzopyran-4-one PubChem CID: 466268 IUPAC Name: 7-methoxy-2-phenylchromen-4-one SMILES: COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

PubChem CID 466268
CAS 22395-22-8
Molecular Weight (g/mol) 252.269
MDL Number MFCD00017462
SMILES COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
Synonym 7-methoxyflavone,7-methoxy-2-phenyl-4h-chromen-4-one,flavone, 7-methoxy,unii-xk561ap5ur,7-methoxy-2-phenyl-chromen-4-one,xk561ap5ur,7-methoxy-2-phenylchromone,7-methoxy flavone,7-methoxy-2-phenyl-4h-benzopyran-4-one
IUPAC Name 7-methoxy-2-phenylchromen-4-one
InChI Key QKNDCRMJDZLFEG-UHFFFAOYSA-N
Molecular Formula C16H12O3
12

5,6,7-Trimethoxyflavone, 97%, Thermo Scientific™

CAS: 973-67-1 Molecular Formula: C18H16O5 Molecular Weight (g/mol): 312.32 MDL Number: MFCD00017457 InChI Key: HJNJAUYFFFOFBW-UHFFFAOYSA-N Synonym: 5,6,7-trimethoxyflavone,baicalein trimethyl ether,baicalein 5,6,7-trimethyl ether,baicalein-5,6,7-trimethylether,5,6,7-trimethoxy-2-phenyl-4h-chromen-4-one,5,6,7-trimethoxy-2-phenyl-chromen-4-one,baicalein-5,6,7-trimethyl ether,pubchem9835,5,6,7-trimethylbaicalein PubChem CID: 442583 ChEBI: CHEBI:2980 IUPAC Name: 5,6,7-trimethoxy-2-phenylchromen-4-one SMILES: COC1=C(OC)C(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1

PubChem CID 442583
CAS 973-67-1
Molecular Weight (g/mol) 312.32
ChEBI CHEBI:2980
MDL Number MFCD00017457
SMILES COC1=C(OC)C(OC)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1
Synonym 5,6,7-trimethoxyflavone,baicalein trimethyl ether,baicalein 5,6,7-trimethyl ether,baicalein-5,6,7-trimethylether,5,6,7-trimethoxy-2-phenyl-4h-chromen-4-one,5,6,7-trimethoxy-2-phenyl-chromen-4-one,baicalein-5,6,7-trimethyl ether,pubchem9835,5,6,7-trimethylbaicalein
IUPAC Name 5,6,7-trimethoxy-2-phenylchromen-4-one
InChI Key HJNJAUYFFFOFBW-UHFFFAOYSA-N
Molecular Formula C18H16O5
13

5-Methoxyflavone, 97%, Thermo Scientific™

CAS: 42079-78-7 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD00016942 InChI Key: XRQSPUXANRGDAV-UHFFFAOYSA-N Synonym: 5-methoxyflavone,5-methoxy-2-phenyl-4h-chromen-4-one,5-methoxy-2-phenyl-4-benzopyrone,chembl16685,4h-1-benzopyran-4-one, 5-methoxy-2-phenyl,5-methoxy-2-phenyl-chromen-4-one,acmc-20am2h,d0v5hf,bidd:er0473 PubChem CID: 94525 IUPAC Name: 5-methoxy-2-phenylchromen-4-one SMILES: COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3

PubChem CID 94525
CAS 42079-78-7
Molecular Weight (g/mol) 252.269
MDL Number MFCD00016942
SMILES COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3
Synonym 5-methoxyflavone,5-methoxy-2-phenyl-4h-chromen-4-one,5-methoxy-2-phenyl-4-benzopyrone,chembl16685,4h-1-benzopyran-4-one, 5-methoxy-2-phenyl,5-methoxy-2-phenyl-chromen-4-one,acmc-20am2h,d0v5hf,bidd:er0473
IUPAC Name 5-methoxy-2-phenylchromen-4-one
InChI Key XRQSPUXANRGDAV-UHFFFAOYSA-N
Molecular Formula C16H12O3
14

Nujol (light oil), Thermo Scientific Chemicals

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
15

6-Methoxyflavone, 98%, Thermo Scientific™

CAS: 26964-24-9 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD00017322 InChI Key: XZQLSABETMKIGG-UHFFFAOYSA-N PubChem CID: 147157 IUPAC Name: 6-methoxy-2-phenylchromen-4-one SMILES: COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3

PubChem CID 147157
CAS 26964-24-9
Molecular Weight (g/mol) 252.269
MDL Number MFCD00017322
SMILES COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
IUPAC Name 6-methoxy-2-phenylchromen-4-one
InChI Key XZQLSABETMKIGG-UHFFFAOYSA-N
Molecular Formula C16H12O3