3-[[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-galaktopyranosyl]oxy]-7-[(6-desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-on

Robinin

HCID 5281693CAS 301-19-9
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Grundinformationen

Standard-SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
PEFASEPMJYRQBW-HKWQTAEVSA-N
Summenformel
C33H40O19
Durchschnittliche Molmasse
740,7 g/mol
Monoisotopische Masse
740,21637906

Überblick

Robinin is a glycosyloxyflavone that is kaempherol substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl residue at position 3 and a 6-deoxy-alpha-L-mannopyranosyl residue at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to a kaempferol.

Namen und Bezeichner

Bevorzugter Name
Robinin
IUPAC
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Lokaler Name
3-[[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-galaktopyranosyl]oxy]-7-[(6-desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-on
Englischer Name
Robinin
Summenformel
C33H40O19
Molmasse
740.66

Namen und Synonyme

Robinin301-19-975RT1VGM60DTXSID401031393CHEBI:8878NSC-92224H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl)tetrahydropyran-2-yl)oxy-chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:179724
Weitere Namen anzeigen
Nsc9222Aids082734Robinin-RMAids-082734Robinin (Standard)Robinin >=90.0% (HPLC)KAEMPFEROL 3-ROBINOSIDE 7-RHAMNOSIDE
DTXCID101784927206-113-35-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-oneKaempferol-3-O-gal-rham-7-O-rhamEINECS 206-113-3Kaempferol-3-O-robinoside-7-O-rhamnosideNSC 9222UNII-75RT1VGM60

Datenbank-Bezeichner

CAS
301-19-9
PubChem CID
5281693
DTXSID
DTXSID401031393
ChEBI
CHEBI:8878
UNII
75RT1VGM60
EC Number
206-113-3
Nikkaji
J11.402B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-2,2
Polarare Oberfläche (TPSA)
304 Ų
H-Brücken-Donoren
11
H-Brücken-Akzeptoren
19
Frei drehbare Bindungen
8
Schwere Atome
52

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
194 · 194-195°C
Siedepunkt
1064.4 · 1064.4±65.0 °C(Predicted)
Dichte
1.74 · 1.74±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
Löslichkeit
Soluble in hot water
Aggregatzustand
powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 Oral

Chemie und Industrie

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