BitterDB ID=645

Phenyl beta-D-glucopyranoside

BitterDB id=645
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Sakurai T, Misaka T, Ishiguro M, Masuda K, Sugawara T, et al. (2010). Characterization of the beta-D-glucopyranoside binding site of the human bitter taste receptor hTAS2R16. J Biol Chem 285(36): 28373-8. PubMed 20605788
[2]	Bufe B, Hofmann T, Krautwurst D, Raguse JD, Meyerhof W (2002). The human TAS2R16 receptor mediates bitter taste in response to beta-glucopyranosides. Nat Genet 32(3): 397-401. PubMed 12379855

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r16		380	PubMed:20605788
mTas2r119	10000		PubMed:27226572
mTas2r125	3000		PubMed:27226572
mTas2r126	10000		PubMed:27226572

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.1 [mM]	Reference
Bitter recognition EC50	0.7 [mM]	Reference

Properties:

Mol. Weight: 256.25 [g/mol]	AlogP(octanol-water): -1.13470
# Hydrogen Bond Donor: 4	# Hydrogen Bond Acceptor: 6
# Aromatic Rings: 1	# Rings: 2
# Rotatable Bonds: 3

Identifiers:

CAS Registry Number: 1464-44-4

Formula: C12H16O6

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: NEZJDVYDSZTRFS-RMPHRYRLSA-N

Links:

[1]	PubChem	65080
[2]	ZINC	ZINC000004096022