BitterDB ID=1621

Cromolyn

BitterDB id=1621
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Jaggupilli A. et al. Characterization of the Binding Sites for Bacterial Acyl Homoserine Lactones (AHLs) on Human Bitter Taste Receptors (T2Rs), ACS Infectious Diseases, 2018, 4(7), 1146â€“1156 PubMed 29799189
[2]	Jaggupilli A. et. al. Advanced Glycation End-Products Can Activate or Block Bitter Taste Receptors, Nutrients, 2019, 11(6), 1317 PubMed 31212814
[3]	Cui M. et al. Activation of specific bitter taste receptors by olive oil phenolics and secoiridoids,Â Sci Rep, 2021, 11, 22340 PubMed 34785711
[4]	Lang T. et al. Activation Profile of TAS2R2, the 26th Human Bitter Taste Receptor, Molecular Nutrition & Food Research, 2023, 67(11) PubMed 36929150

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r49	10000.0		PubMed:34785711
hTas2r49		50.72	PubMed:31212814
hTas2r49	100.0		PubMed:29799189

Sensory data about the compound bitterness:

There is no sensory data available

Properties:

Mol. Weight: 468.3665 [g/mol]	AlogP(octanol-water): 3.18310
# Hydrogen Bond Donor: 1	# Hydrogen Bond Acceptor: 7
# Aromatic Rings: 4	# Rings: 4
# Rotatable Bonds: 8

Identifiers:

Formula: C23H16O11

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: IMZMKUWMOSJXDT-UHFFFAOYSA-N

Links:

[1]	PubChem	2882
[2]	ZINC	ZINC000001530788
[3]	DrugBank	DB01003
[4]	Guide to PHARMACOLOGY	7608