Isoorientin
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Isoorientin
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CAS No:
4261-42-1
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Formula:
C21H20O11
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Chemical Name:
Isoorientin
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Synonyms:
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-;Isoorientin;2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one;Homoorientin;Lutonaretin;Lespecapitioside;Lespecapitoside;Luteolin 6-C-glucoside;Luteolin 6-C-β-D-glucopyranoside;Flavone,6-β-D-glucopyranosyl-3′,4′,5,7-tetrahydroxy-;3′,4′,5,7-Tetrahydroxy-6-C-glucopyranosylflavone;Luteolin 6-C-β-D-glucoside;1108-05-0;6658-57-7;11004-94-7;39319-16-9;61383-35-5
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CAS No:
Description
Isoorientin is a potent inhibitor of COX-2 with an IC50 value of 39 μM.
Isoorientin is a flavone C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position. It has a role as a radical scavenger and an antineoplastic agent. It is a tetrahydroxyflavone and a flavone C-glycoside. It derives from a luteolin. It is a conjugate acid of an isoorientin(1-).
Characteristics
197
-0.2
yellow
1.8±0.1 g/cm3
236-237 °C (decomp)
856.7°C at 760 mmHg
303.2±27.8 °C
1.767
methanol: soluble5mg/mL, clear, colorless to yellow
2-8°C
Isoorientin Use and Manufacturing
Isoorientin 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-inflammatory and gastroprotective activities in several studies.
Computed Properties
Molecular Weight:448.4
XLogP3:-0.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:3
Exact Mass:448.10056145
Monoisotopic Mass:448.10056145
Topological Polar Surface Area:197
Heavy Atom Count:32
Complexity:729
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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