BitterDB ID=658

Gallic aci

BitterDB id=658

References for the compound bitterness

	Resource	Comment
[1]	Rodgers S, Glen RC, Bender A (None). Characterizing bitterness: identification of key structural features and development of a classification model. J Chem Inf Model 46(2): 569-76. PubMed 16562985
[2]	Deng S. et al. Bitter and astringent substances in green tea: composition, human perception mechanisms, evaluation methods and factors influencing their formation, Food Research International, 2022, 157, 111262 PubMed 35761574
[3]	Yan J. and Tong H. An overview of bitter compounds in foodstuffs: Classifications, evaluation methods for sensory contribution, separation and identification techniques, and mechanism of bitter taste transduction, Comprehensive Reviews in Food Science and Food Safety, 2023, 22(1), PubMed 36382875
[4]	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:

There is no available data on associated receptors

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.0002 [mM]	Reference
Bitter recognition threshold	0.0294 [mM]	Reference
Bitter recognition threshold	0.01176 [mM]	Reference

Properties:

Mol. Weight: 170.1200 [g/mol]	AlogP(octanol-water): 0.50160
# Hydrogen Bond Donor: 4	# Hydrogen Bond Acceptor: 4
# Aromatic Rings: 1	# Rings: 1
# Rotatable Bonds: 1

Identifiers:

CAS Registry Number: 149-91-7,5995-86-8,6274-40-4

Formula: C7H6O5

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: LNTHITQWFMADLM-UHFFFAOYSA-N

Links:

[1]	PubChem	370
[2]	ZINC	ZINC000000001504
[3]	Guide to PHARMACOLOGY	5549