Isoscutellarin

Base Information

• Chemical Name: Isoscutellarin
• CAS No.: 62023-92-1
• Molecular Formula: C21H18 O12
• UNII: FRH0WC636A
• ChEMBL ID: CHEMBL3542370
• Nikkaji Number: J2.476.146K
• Wikidata: Q105025370

Synonyms:Isoscutellarin;FRH0WC636A;Scutellarein-6-o-glucuronide;S-6-g;UNII-FRH0WC636A;CHEMBL3542370;Scutellarein-6-o-beta-D-glucuronide;62023-92-1;5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl beta-D-glucopyranosiduronic acid;beta-D-Glucopyranosiduronic acid, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl;BDBM50088505;SCUTELLAREIN-6-O-.BETA.-D-GLUCURONIDE;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-YL;5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Chemical Property of Isoscutellarin

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 462.07982601
• Heavy Atom Count: 33
• Complexity: 777

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O

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