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Prunetin

Prunetin structure

CAS No:
552-59-0
Formula:
C16H12O5
Chemical Name:
Prunetin
Synonyms:
4H-1-Benzopyran-4-one,5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-;Isoflavone,4′,5-dihydroxy-7-methoxy-;Prunetin;5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one;5,4′-Dihydroxy-7-methoxyisoflavone;7-O-Methylgenistein
Categories:
Natural Products > Flavonoids

Description

Prunetin, an O-methylated isoflavone, possesses anti-inflammatory activity. Prunetin is a potent human aldehyde dehydrogenases inhibitor[1][2].

Solid

Prunetin is a hydroxyisoflavone that is genistein in which the hydroxy group at position 7 is replaced by a methoxy group. It has a role as a metabolite, an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor, an anti-inflammatory agent and an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It is a hydroxyisoflavone and a member of 7-methoxyisoflavones. It derives from a genistein. It is a conjugate acid of a prunetin-5-olate.

Prunetin Basic Attributes

Molecular Weight：

284.26

Exact Mass：

284.26

EC Number：

209-018-5

UNII：

1TG4H5H11J

DSSTox ID：

DTXSID3022530

HScode：

2914509090

Characteristics

PSA：

XLogP3：

Appearance：

Solid

Density：

1.4±0.1 g/cm3

Melting Point：

239.5 °C

Boiling Point：

546.5°C at 760 mmHg

Flash Point：

209.7±23.6 °C

Refractive Index：

1.669

Water Solubility：

71.1 mg/L @ 25 °C (est)

Collision Cross Section：

166.26 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|181.44 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|175.17 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|174.6 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

DJ3100050

Drug Information

Metabolism/Metabolites：

Prunetin has known human metabolites that include 3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid.

MeSH Entry Terms：

5,4'-dihydroxy-7-methoxyisoflavone

Prunetin Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

Computed Properties

Molecular Weight:284.26
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:284.06847348
Monoisotopic Mass:284.06847348
Topological Polar Surface Area:76
Heavy Atom Count:21
Complexity:424
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Prunetin

CAS No.: 552-59-0

Content: 99.00%

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CAS No.: 552-59-0

Grade: Chemical Grade

Content: 99%

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Guide of Prunetin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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Prunetin

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