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Flavonoider

Polyphenoliske organiske forbindelser, der har 15 carbonatomer med den generelle struktur af to phenylringe og en heterocyklisk ring, eller en ring med to eller flere atomer. Flavonoider er en klasse af polyfenoliske plante- og svampe sekundære metabolitter.

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1

Glucopeonidin Trifluoroacetic Acid, TRC

Molekylær formel: C22 H23 O11 • C2 H F3 O2 Molekylvægt (g/mol): 577.44 Synonym: 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium TFA Salt,3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium TFA Salt,3-(Glucosyloxy)-4',5,7-trihydroxy-3'-methoxyflavylium TFA Salt,3-(beta-D-glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxy-flavylium TFA Salt,beta-D- Peonidin-3-glucopyranoside; IUPAC navn: 2,2,2-trifluoroacetic acid, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium salt SMIL: OC(C(F)(F)F)=O.OC1=CC(O)=C2C=C(OC3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C(C4=CC(OC)=C(O)C=C4)=[O+]C2=C1

Molekylvægt (g/mol) 577.44
Synonym 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium TFA Salt,3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium TFA Salt,3-(Glucosyloxy)-4',5,7-trihydroxy-3'-methoxyflavylium TFA Salt,3-(beta-D-glucopyranosyloxy)-4',5,7-trihydroxy-3'-methoxy-flavylium TFA Salt,beta-D- Peonidin-3-glucopyranoside;
SMIL OC(C(F)(F)F)=O.OC1=CC(O)=C2C=C(OC3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)C(C4=CC(OC)=C(O)C=C4)=[O+]C2=C1
IUPAC navn 2,2,2-trifluoroacetic acid, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium salt
Molekylær formel C22 H23 O11 • C2 H F3 O2
2

Thermo Scientific Chemicals Repaglinid

CAS: 135062-02-1 Molekylær formel: C27H36N2O4 Molekylvægt (g/mol): 452.60 MDL nummer: MFCD00906179 InChI nøgle: FAEKWTJYAYMJKF-QHCPKHFHSA-N IUPAC navn: 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoesyre SMIL: CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O

MDL nummer MFCD00906179
Molekylvægt (g/mol) 452.60
CAS 135062-02-1
SMIL CCOC1=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=CC=C1C(O)=O
IUPAC navn 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoesyre
InChI nøgle FAEKWTJYAYMJKF-QHCPKHFHSA-N
Molekylær formel C27H36N2O4
3

Quercetinhydrat, 95%, Thermo Scientific Chemicals

CAS: 849061-97-8 Molekylær formel: C15H10O7 Molekylvægt (g/mol): 302.24 MDL nummer: MFCD03847906 InChI nøgle: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonym: 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 PubChem CID: 16212154 IUPAC navn: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-on;hydrat SMIL: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1

MDL nummer MFCD03847906
PubChem CID 16212154
Molekylvægt (g/mol) 302.24
CAS 849061-97-8
Synonym 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
SMIL OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
IUPAC navn 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-on;hydrat
InChI nøgle REFJWTPEDVJJIY-UHFFFAOYSA-N
Molekylær formel C15H10O7
4

Thermo Scientific Chemicals Hesperidin, 97%, inkluderer analoge forbindelser

CAS: 520-26-3 Molekylær formel: C28H34O15 Molekylvægt (g/mol): 610.57 MDL nummer: MFCD00075663 InChI nøgle: QUQPHWDTPGMPEX-QJBIFVCTSA-N PubChem CID: 45358131 SMIL: 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

MDL nummer MFCD00075663
PubChem CID 45358131
Molekylvægt (g/mol) 610.57
CAS 520-26-3
SMIL 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 nøgle QUQPHWDTPGMPEX-QJBIFVCTSA-N
Molekylær formel C28H34O15
5

Quercetin dihydrate, 97%

CAS: 6151-25-3 Molekylær formel: C15H14O9 Molekylvægt (g/mol): 338.27 MDL nummer: MFCD00149487 InChI nøgle: GMGIWEZSKCNYSW-UHFFFAOYSA-N Synonym: quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 IUPAC navn: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-on;dihydrat SMIL: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1

MDL nummer MFCD00149487
PubChem CID 5284452
Molekylvægt (g/mol) 338.27
CAS 6151-25-3
Synonym quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate
SMIL O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
IUPAC navn 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-on;dihydrat
InChI nøgle GMGIWEZSKCNYSW-UHFFFAOYSA-N
Molekylær formel C15H14O9
6

Naringin, Thermo Scientific Chemicals

CAS: 10236-47-2 Molekylær formel: C27H32O14 Molekylvægt (g/mol): 580.54 MDL nummer: MFCD00148888,MFCD00149445,MFCD01461988 InChI nøgle: DFPMSGMNTNDNHN-ZPHOTFPESA-N Synonym: 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside PubChem CID: 74787988 IUPAC navn: 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl-2-(4-hydroxyphenyl)-2-(4-hydroxyphenyl) SMIL: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

MDL nummer MFCD00148888,MFCD00149445,MFCD01461988
PubChem CID 74787988
Molekylvægt (g/mol) 580.54
CAS 10236-47-2
Synonym 4',5,7-Trihydroxyflavanone 7-rhamnoglucoside
SMIL C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
IUPAC navn 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl-2-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)
InChI nøgle DFPMSGMNTNDNHN-ZPHOTFPESA-N
Molekylær formel C27H32O14