Paeonol
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Paeonol
structure -
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CAS No:
552-41-0
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Formula:
C9H10O3
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Chemical Name:
Paeonol
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Synonyms:
Ethanone,1-(2-hydroxy-4-methoxyphenyl)-;Peonol;Acetophenone,2′-hydroxy-4′-methoxy-;1-(2-Hydroxy-4-methoxyphenyl)ethanone;4-O-Methylresacetophenone;Paeonol;2′-Hydroxy-4′-methoxyacetophenone;Resacetophenone 4-O-methyl ether;2-Acetyl-5-methoxyphenol;4′-Methoxy-2′-hydroxyacetophenone;2-Hydroxy-4-methoxyphenyl methyl ketone;NSC 401442;1-(4-Methoxy-2-hydroxyphenyl)ethanone;1-(2-Hydroxy-4-methoxyphenyl)ethan-1-one;Paeonolum;Paconol;4-Methoxy-2-hydroxyacetophenone
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CAS No:
Description
Paeonol is an active extraction from the root of Paeonia suffruticosa, Paeonol inhibits MAO-A and MAO-B with IC50 of 54.6 μM and 42.5 μM, respectively.
Paeonol is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite.
Characteristics
46.53000
2
white to beige crystalline powder
1.158g/cm3
52.5 °C
145-147 °C @ Press: 5 Torr
>110ºC
1.54322 (81.2ºC)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
LD50 orl-mus: 3430 mg/kg YKKZAJ 89,1205,69
124.9 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
NONH for all modes of transport
3
R20/21/22; R36/37/38
S26-S28-S36/37/39-S45
RT1215000
Xn
Stable under normal temperatures and pressures.
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Paeonol has known human metabolites that include (2-Acetyl-5-methoxyphenyl) hydrogen sulfate.
2-hydroxy-4-methoxyacetophenone
Paeonol Use and Manufacturing
1. Antibacterial, antimutagen, anti-alzheimer
2. An anti-inflammatory & anti-lipid peroxidation agent.An active ingredient isolated from paeonol. Its pharmacological effects include anti-aggregation, anti-inflammatory, anti-ischemia-reperfusion injury and anti-lipid peroxidation. Used as an anti-rheumatic medicine, it has anti-inflammatory and analgesic effects.
Computed Properties
Molecular Weight:166.17
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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