Glycitin

HCID 187808CAS 40246-10-4
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Grundinformationen

Standard-SMILES
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
OZBAVEKZGSOMOJ-MIUGBVLSSA-N
Summenformel
C22H22O10
Durchschnittliche Molmasse
446,4 g/mol
Monoisotopische Masse
446,1212969

Überblick

Glycitin is a glycosyloxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a hydroxy group at position 4' and a beta-D-glucopyranosyloxy group at position 7. It has a role as a plant metabolite. It is a 7-hydroxyisoflavones 7-O-beta-D-glucoside, a hydroxyisoflavone, a methoxyisoflavone and a monosaccharide derivative.

Namen und Bezeichner

Bevorzugter Name
Glycitin
IUPAC
3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Englischer Name
Glycitin
Summenformel
C22H22O10
Molmasse
446.41

Namen und Synonyme

Glycitin40246-10-4Glycitein 7-O-glucosideGlycitein 7-O-beta-glucosideGlycitein-7-beta-O-glucosideG2S44P62XC3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneCHEBI:80373DTXSID801932273-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-3-(4-hydroxyphenyl)-6-methoxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
Weitere Namen anzeigen
Glycitein 7-glucosideGlycitin(SH)Glycitin, >99%Glycitin, >=98%Daidzin/GlycitinGlycitin (15 mg)Glycitin USP/EP/BPGlycitin (Standard)Glycitin 7-glucoside
RefChem:143896DTXCID901157183-(4-hydroxyphenyl)-6-methoxy-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneMFCD008007113-(4-hydroxyphenyl)-6-methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-oneGLYCITIN [USP-RS]AC-60473-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl .beta.-D-glucopyranoside

Datenbank-Bezeichner

CAS
40246-10-4
PubChem CID
187808
DTXSID
DTXSID80193227
ChEBI
CHEBI:80373
UNII
G2S44P62XC
Nikkaji
J396.591K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
155 Ų
H-Brücken-Donoren
5
H-Brücken-Akzeptoren
10
Frei drehbare Bindungen
5
Schwere Atome
32

Experimentelle und physikochemische Eigenschaften

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

Physikochemische Eigenschaften

Schmelzpunkt
2100 C · 2100C
Siedepunkt
751.1 · 751.1±60.0 °C(Predicted)
Dichte
1.545 · 1.545
storage temp.
room temp
Löslichkeit
DMSO (Slightly, Sonicated), Methanol (Slightly, Heated)
pka
9.62 · 9.62±0.30(Predicted)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information · 1 Eintrag

4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

wgk
3
hs_code
29389090
safety_code
24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationCompounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A glycosyloxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a hydroxy group at position 4' and a beta-D-glucopyranosyloxy group at position 7.

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