Grundinformationen
- Standard-SMILES
O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12- InChIKey
OVSQVDMCBVZWGM-QSOFNFLRSA-N- Summenformel
- C21H20O12
- Durchschnittliche Molmasse
- 464,4 g/mol
- Monoisotopische Masse
- 464,09547608
Überblick
Quercetin 3-O-beta-D-glucopyranoside is a quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, a histamine antagonist, a bone density conservation agent, an antipruritic drug, an osteogenesis regulator and a plant metabolite. It is a beta-D-glucoside, a tetrahydroxyflavone, a monosaccharide derivative and a quercetin O-glucoside. It is functionally related to a beta-D-glucose. It is a conjugate acid of a quercetin 3-O-beta-D-glucopyranoside(1-).
Namen und Bezeichner
- Bevorzugter Name
- Isoquercetin
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
21637-25-2、482-35-9- PubChem CID
- 5280804
- DTXSID
DTXSID3041110- ChEMBL
CHEMBL250450- ChEBI
CHEBI:68352- UNII
- 6HN2PC637T
- EC Number
- 483-280-0、640-533-1
- Nikkaji
- J263.910F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 207 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 758
Experimentelle und physikochemische Eigenschaften
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
Chemie und Industrie
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