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Datiscetin

Datiscetin structure

CAS No:
480-15-9
Formula:
C15H10O6
Chemical Name:
Datiscetin
Synonyms:
4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(2-hydroxyphenyl)-;Datiscetin;Flavone,2′,3,5,7-tetrahydroxy-;3,5,7-Trihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one;C.I. 75630;Akalbir;C.I. Natural Yellow 12;2′,3,5,7-Tetrahydroxyflavone;2-(2-Hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one
Categories:
Organic Chemistry > Heterocyclic Ring

Description

ChEBI: A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5.

Datiscetin is a tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5. It is a tetrahydroxyflavone and a 7-hydroxyflavonol.

Datiscetin Basic Attributes

Molecular Weight：

286.239

Exact Mass：

286.24

EC Number：

207-541-3

UNII：

M8C5EH705I

DSSTox ID：

DTXSID50197378

Characteristics

PSA：

107

XLogP3：

2.28240

Density：

1.2981 (rough estimate)

Melting Point：

276 °C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Drug Information

Metabolism/Metabolites：

Datiscetin has known human metabolites that include (2S,3S,4S,5R)-6-[5,7-dihydroxy-2-(2-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.

Datiscetin Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:286.24
XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:286.04773803
Monoisotopic Mass:286.04773803
Topological Polar Surface Area:107
Heavy Atom Count:21
Complexity:459
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Datiscetin

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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4 YRS

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DATISCETIN

CAS No.: 480-15-9

Grade: Industrial Grade

Content: 99%

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