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6,7,4′-Trihydroxyisoflavone

6,7,4′-Trihydroxyisoflavone structure

CAS No:
17817-31-1
Formula:
C15H10O5
Chemical Name:
6,7,4′-Trihydroxyisoflavone
Synonyms:
4H-1-Benzopyran-4-one,6,7-dihydroxy-3-(4-hydroxyphenyl)-;Isoflavone,4′,6,7-trihydroxy-;6,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;4′,6,7-Trihydroxyisoflavone;6,7,4′-Trihydroxyisoflavone;6-Hydroxydaidzein;Desmethylglycitein
Categories:
Biochemical Engineering > Plant Extracts

Description

ChEBI: A hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 6.

Solid

4',6,7-trihydroxyisoflavone is a hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 6. It has a role as a metabolite, a PPARalpha agonist, a PPARgamma agonist, an anti-inflammatory agent, an antimutagen and an EC 1.14.18.1 (tyrosinase) inhibitor. It derives from a daidzein.

6,7,4′-Trihydroxyisoflavone Basic Attributes

Molecular Weight：

270.24

Exact Mass：

270.24

UNII：

PLM2K574GE

DSSTox ID：

DTXSID8022452

HScode：

2914501900

Characteristics

PSA：

XLogP3：

2.57680

Density：

1.548±0.06 g/cm3(Predicted)

Melting Point：

322 °C (decomp)

Boiling Point：

587.1±50.0 °C(Predicted)

Flash Point：

229.7ºC

Refractive Index：

1.732

Water Solubility：

1188 mg/L @ 25 °C (est)

Safety Information

wgk germany：

safety instructions：

22-24/25

Drug Information

MeSH Entry Terms：

6,7,4'-trihydroxyisoflavone

6,7,4′-Trihydroxyisoflavone Use and Manufacturing

Use Classification：

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

Computed Properties

Molecular Weight:270.24
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:270.05282342
Monoisotopic Mass:270.05282342
Topological Polar Surface Area:87
Heavy Atom Count:20
Complexity:411
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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6,7,4-Trihydroxyisoflavone

CAS No.: 17817-31-1

Content: 99.00%

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Guide of 6,7,4′-Trihydroxyisoflavone

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