BitterDB ID=1317

Caffeic acid

BitterDB id=1317
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
[4]	Glendinning JI (1994). Is the bitter rejection response always adaptive? Physiol Behav 56(6): 1217-27. PubMed 7878094

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r1			PubMed:35761574
hTas2r14			PubMed:35761574

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.0111 [mM]	Reference
Bitter recognition threshold	0.0111 [mM]	Reference
Bitter recognition threshold	0.11 [mM]	Reference

Properties:

Mol. Weight: 180.1600 [g/mol]	AlogP(octanol-water): 1.19560
# Hydrogen Bond Donor: 3	# Hydrogen Bond Acceptor: 3
# Aromatic Rings: 1	# Rings: 1
# Rotatable Bonds: 2

Identifiers:

CAS Registry Number: 331-39-5,501-16-6,71693-97-5

Formula: C9H8O4

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N

Links:

[1]	PubChem	689043
[2]	DrugBank	DB01880