3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
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3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
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CAS No:
94105-90-5
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Formula:
C15H14O3
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Chemical Name:
3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
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Synonyms:
2H-1-Benzopyran-7-ol,3,4-dihydro-3-(4-hydroxyphenyl)-;3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol;(±)-Equol;NV 07α;7,4′-Homoisoflavane;66036-38-2
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CAS No:
Description
(±)-Equol is the racemate of equol. Equol is a metabolite of the soy isoflavones, daidzin and daidzein.
3-(4-Hydroxyphenyl)chroman-7-ol is a member of hydroxyisoflavans.|A non-steroidal ESTROGEN generated when soybean products are metabolized by certain bacteria in the intestines.
3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol Basic Attributes
242.28
242.27
1312995-182-4
670882
DTXSID7058705
Characteristics
49.7
3
solid
1.3±0.1 g/cm3
158 °C
441.7ºC at 760mmHg
220.9±28.7 °C
1.645
soluble in DMSO and methanol or 100% ethanol. Insoluble in water.
-20°C Freezer
Drug Information
Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS. (See all compounds classified as Phytoestrogens.)
Equol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid.
(+-)-isomer of equol
3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol Use and Manufacturing
A human urinary metabolite of Daidzein.It is also a natural estrogenic metabolite from soy isoflavones.
Polyketides [PK] -> Flavonoids [PK12] -> Isoflavans [PK1208]
Computed Properties
Molecular Weight:242.27
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:242.094294304
Monoisotopic Mass:242.094294304
Topological Polar Surface Area:49.7
Heavy Atom Count:18
Complexity:273
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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