polygalaxanthone III
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polygalaxanthone III
structure -
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CAS No:
162857-78-5
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Formula:
C25H28O15
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Chemical Name:
polygalaxanthone III
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Synonyms:
polygalaxanthone III;2-(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-one;Polygalaxanthone Ⅲ
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CAS No:
Description
Polygalaxanthone III is extracted from polygala tenuifolia wild, has inhibitory effect towards CYP450 enzyme. Polygalaxanthone III inhibits chlorzoxazone 6-hydroxylation catalyzed by CYP2E1 with an IC50 of 50.56 μM[1].
Computed Properties
Molecular Weight:568.5
XLogP3:-1.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:6
Exact Mass:568.14282018
Monoisotopic Mass:568.14282018
Topological Polar Surface Area:245
Heavy Atom Count:40
Complexity:907
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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