Isoorientin

HCID 114776CAS 4261-42-1
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Grundinformationen

Standard-SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
InChIKey
ODBRNZZJSYPIDI-VJXVFPJBSA-N
Summenformel
C21H20O11
Durchschnittliche Molmasse
448,4 g/mol
Monoisotopische Masse
448,10056146

Überblick

Isoorientin is a flavone C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position. It has a role as an antineoplastic agent and a radical scavenger. It is a tetrahydroxyflavone and a flavone C-glycoside. It is functionally related to a luteolin. It is a conjugate acid of an isoorientin(1-).

Namen und Bezeichner

Bevorzugter Name
Isoorientin
IUPAC
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Englischer Name
HOMOORIENTIN
Summenformel
C21H20O11
Molmasse
448.38

Namen und Synonyme

IsoorientinHomoorientin4261-42-1iso-orientinLespecapitioside6-Glc-luteolinLUTONARETINCHEBI:17965A37342TIX1DTXSID509626094H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Weitere Namen anzeigen
2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-oneIsoorientinIHomoorientin(P)Homoorientin-RMlespecapittosideHOMOORIENTIN hplcHOMOORIENTIN WITH HPLC
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol(1S)-1,5-anhydro-1-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl)-D-glucitol2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-oneRefChem:40050DTXCID6013904062-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)chromen-4-oneLuteolin-6-C-glucosideLuteolin 6-C-glucoside

Datenbank-Bezeichner

CAS
4261-42-1
PubChem CID
114776
DTXSID
DTXSID50962609
ChEMBL
CHEMBL239559
ChEBI
CHEBI:17965
UNII
A37342TIX1
EC Number
610-045-3
Nikkaji
J14.555F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,2
Polarare Oberfläche (TPSA)
197 Ų
H-Brücken-Donoren
8
H-Brücken-Akzeptoren
11
Frei drehbare Bindungen
3
Schwere Atome
32

Experimentelle und physikochemische Eigenschaften

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Physikochemische Eigenschaften

Schmelzpunkt
245 · 245-246°C
Siedepunkt
856.7 · 856.7±65.0 °C(Predicted)
Dichte
1.759 · 1.759±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
5 mg/mL, · methanol: soluble5mg/mL, clear, colorless to yellow
Aggregatzustand
powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIsoorientin is a flavonoid compound that can be isolated from the passion flower, and several other species of plants. Isoorientin has also shown to exert antioxidant, anti-nociceptive, anti-inflammat ory and gastroprotective activities in several studies.

Anbieter50 Anbieter

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]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A flavone C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position.

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