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Isoscopoletin

Isoscopoletin structure

CAS No:
776-86-3
Formula:
C10H8O4
Chemical Name:
Isoscopoletin
Synonyms:
2H-1-Benzopyran-2-one,6-hydroxy-7-methoxy-;Coumarin,6-hydroxy-7-methoxy-;Herniarin,6-hydroxy-;6-Hydroxy-7-methoxy-2H-1-benzopyran-2-one;Esculetin,7-methyl ether;6-Hydroxy-7-methoxycoumarin;Isoscopoletin;7-Methoxyesculetin
Categories:
Active Pharmaceutical Ingredients > Respiratory Drugs

Description

Isoscopoletin (6-Hydroxy-7-methoxycoumarin) is an active constituent in Artemisia argyi leaves. Isoscopoletin shows substantial inhibition against cell proliferation, with IC50s of 4.0 μM and 1.6 μM for human CCRF-CEM leukaemia cells and multidrug resistant subline CEM/ADR5000, respectively[1]. Isoscopoletin (6-Hydroxy-7-methoxycoumarin) possesses inhibitory activity against HBV replication[2].

Isoscopoletin is a hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. It has a role as a plant metabolite. It is a hydroxycoumarin and an aromatic ether. It derives from an esculetin.

Isoscopoletin Basic Attributes

Molecular Weight：

192.17

Exact Mass：

192.17

EC Number：

212-282-4

DSSTox ID：

DTXSID40228266

HScode：

29322090

Characteristics

PSA：

55.8

XLogP3：

0.83

Density：

1.37 g/cm³

Melting Point：

185 °C

Boiling Point：

413.5±45.0 °C at 760 mmHg

Flash Point：

172.4±22.2 °C

Refractive Index：

1.609

Water Solubility：

DMSO: soluble

Storage Conditions：

2-8°C

Safety Information

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

22-24/25-36-26

Marks：

Drug Information

MeSH Entry Terms：

6-hydroxy-7-methoxycoumarin

Computed Properties

Molecular Weight:192.17
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:192.04225873
Monoisotopic Mass:192.04225873
Topological Polar Surface Area:55.8
Heavy Atom Count:14
Complexity:261
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl acetate

Sodium acetate trihydrate

Ammonium persulfate

PETROLEUM ETHER

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Lobelia Extract

CAS No.: 776-86-3

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