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Isosinensetin

Isosinensetin structure

CAS No:
17290-70-9
Formula:
C20H20O7
Chemical Name:
Isosinensetin
Synonyms:
4H-1-Benzopyran-4-one,2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-;Flavone,3′,4′,5,7,8-pentamethoxy-;2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-1-benzopyran-4-one;Isosinensetin;3′,4′,5,7,8-Pentamethoxyflavone;5,7,8,3′,4′-Pentamethoxyflavone;6-Demethoxynobiletin;2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxy-4H-chromen-4-one;2-(3,4-Dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one;78590-15-5
Categories:
Natural Products > Flavonoids

Description

Isosinensetin, a polymethoxylated flavone extracted from pericarpium citri reticulatae viride, exhibits inhibition on P-glycoprotein (P-gp) in MDR1-MDCKII cells[1][2].

Solid

Isosinensetin is an ether and a member of flavonoids.

Isosinensetin Basic Attributes

Molecular Weight：

372.3686

Exact Mass：

372.37

UNII：

63Z99S38LE

DSSTox ID：

DTXSID80348199

HScode：

2932999099

Characteristics

PSA：

72.4

XLogP3：

Density：

1.244±0.06 g/cm3(Predicted)

Melting Point：

198-199 °C

Boiling Point：

565.3±50.0 °C(Predicted)

Flash Point：

248.4±30.2 °C

Refractive Index：

1.566

Isosinensetin Use and Manufacturing

Methods of Manufacturing

3', 4', 5, 7, 8-pentamethoxyflavone Melting point 196° C. MS m/z 372 (M+) 1H-NMR delta3.96 (6H, s), 3.98 (3H, s), 4.00 (3H, s), 4.01 (3H, s), 6.62 (1H, s), 6.44 (1H, s), 6.99 (1H, d, J=8), 7.42 (1H, d, J=2), 7.59 (1H, dd, J=2, 8).

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Computed Properties

Molecular Weight:372.4
XLogP3:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:372.12090297
Monoisotopic Mass:372.12090297
Topological Polar Surface Area:72.4
Heavy Atom Count:27
Complexity:548
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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6-Demethoxylnobiletin

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CAS No.: 17290-70-9

Grade: Industrial Grade

Content: 98%

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Guide of Isosinensetin

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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Isosinensetin

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