BitterDB ID=802

(+/-) Equol

BitterDB id=802 , Natural
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Roland WS, Vincken JP, Gouka RJ, van Buren L, Gruppen H, et al. (2011). Soy isoflavones and other isoflavonoids activate the human bitter taste receptors hTAS2R14 and hTAS2R39. J Agric Food Chem 59(21): 11764-71. PubMed 21942422
[2]	URL link
[3]	Roland W. S. U. et al. Soy Isoflavones and Other Isoflavonoids Activate the Human Bitter Taste Receptors hTAS2R14 and hTAS2R39, Journal of Agricultural and Food Chemistry, 2011, 59 (21), 11764-11771 PubMed 21942422
[4]	Roland W. S. U. et al. Bitter Taste Receptor Activation by Flavonoids and Isoflavonoids: Modeled Structural Requirements for Activation of hTAS2R14 and hTAS2R39, J. Agric. Food Chem., 2013, 61, 44, 10454â€“10466 PubMed 24117141
[5]	Li L. et al. A comprehensive review of the metabolism of citrus flavonoids and their binding to bitter taste receptors, Comprehensive Reviews in Food Science and Food Safety, 2023, 22(3), 1763-1793 PubMed 36871162

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r14	8.0	47.2	PubMed:21942422
hTas2r14	8.0	47.2	PubMed:24117141
hTas2r14	8.0	47.2	PubMed:36871162
hTas2r39	32	55.8	PubMed:21942422
hTas2r39	32.0	55.8	PubMed:24117141
hTas2r39	32.0	55.8	PubMed:36871162

Sensory data about the compound bitterness:

There is no sensory data available

Properties:

Mol. Weight: 242.2700 [g/mol]	AlogP(octanol-water): 2.81650
# Hydrogen Bond Donor: 2	# Hydrogen Bond Acceptor: 3
# Aromatic Rings: 2	# Rings: 3
# Rotatable Bonds: 1

Identifiers:

Formula: C15H14O3

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: ADFCQWZHKCXPAJ-GFCCVEGCSA-N

Links:

[1]	PubChem	91469
[2]	ZINC	ZINC000000388660	ZINC000000388661