BitterDB ID=2038

Vitamin B1

BitterDB id=2038
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Delompre T. et al. Taste Perception of Nutrients Found in Nutritional Supplements: A Review, Nutrients, 2019, 11(9), 2050 PubMed 31480669
[2]	Delompre T. et al. Detection of Bitterness in Vitamins Is Mediated by the Activation of Bitter Taste Receptors, Nutrients, 2022, 14(19), 4141 PubMed 36235793
[3]	Karolkowski A. et al. Non-Volatile Compounds Involved in Bitterness and Astringency of Pulses: A Review, Molecules, 2023, 28(8), 3298 PubMed 37110532

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r1	100.0		PubMed:37110532
hTas2r7			PubMed:31480669
hTas2r39			PubMed:31480669

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.1 [mM]	Reference
Bitter recognition threshold	1.1 [mM]	Reference

Properties:

Mol. Weight: 300.8076 [g/mol]	AlogP(octanol-water): -2.48280
# Hydrogen Bond Donor: 2	# Hydrogen Bond Acceptor: 3
# Aromatic Rings: 2	# Rings: 2
# Rotatable Bonds: 4

Identifiers:

Formula: C12H17ClN4OS

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: MYVIATVLJGTBFV-UHFFFAOYSA-M

Links:

[1]

PubChem