BitterDB ID=2085

Procyanidin B1

BitterDB id=2085
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	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
[2]	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
[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
hTas2r5		119.34	PubMed:37110532
hTas2r7		123.95	PubMed:37110532

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.4 [mM]	Reference
Bitter recognition threshold	0.4 [mM]	Reference

Properties:

Mol. Weight: 578.5202 [g/mol]	AlogP(octanol-water): 3.36190
# Hydrogen Bond Donor: 10	# Hydrogen Bond Acceptor: 12
# Aromatic Rings: 4	# Rings: 6
# Rotatable Bonds: 3

Identifiers:

Formula: C30H26O12

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: XFZJEEAOWLFHDH-UKWJTHFESA-N

Links:

[1]	PubChem	11250133
[2]	ZINC	ZINC000026490620