BitterDB ID=2300

Adhumulone

BitterDB id=2300
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Karolkowski A. et al. Non-Volatile Compounds Involved in Bitterness and Astringency of Pulses: A Review, Molecules, 2023, 28(8), 3298 PubMed 37110532
[2]	Yang J. et al. Discovery and verification of bitter components in Panax notoginseng based on the integrated strategy of pharmacophore model, system separation and bitter tracing technology, Food Chemistry, 2023, 428, 136716 PubMed 37413835

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r1	0.1	0.7	PubMed:37110532
hTas2r40	0.03	0.2	PubMed:37110532
hTas2r47			PubMed:37110532

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.021 [mM]	Reference

Properties:

Mol. Weight: 376.4865 [g/mol]	AlogP(octanol-water): 3.88250
# Hydrogen Bond Donor: 3	# Hydrogen Bond Acceptor: 5
# Aromatic Rings: 0	# Rings: 1
# Rotatable Bonds: 7

Identifiers:

Formula: C22H32O5

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: LRQDPMPUTYLZTA-CEISFSOZSA-N

Links:

[1]

PubChem