BitterDB ID=74

Colupulone

BitterDB id=74 , Natural
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Intelmann, D. et al. Three TAS2R Bitter Taste Receptors Mediate the Psychophysical Responses to Bitter Compounds of Hops (Humulus lupulus L.) and Beer. Chemosensory Perception 2, 118-132(2009). springerlink
[2]	URL link
[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:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r1	0.1		Link
hTas2r1	0.1	0.7	PubMed:37110532
hTas2r1	0.1	0.7	Link
hTas2r40	0.03		Link
hTas2r40	0.03	0.2	PubMed:37110532
hTas2r40	0.00208333333333333	0.2	Link
hTas2r47			PubMed:37110532

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.039 [mM]	Reference
Bitter recognition threshold	0.017 [mM]	Reference
Bitter recognition threshold	0.039 [mM]	Reference

Properties:

Mol. Weight: 400.5600 [g/mol]	AlogP(octanol-water): 6.47370
# Hydrogen Bond Donor: 2	# Hydrogen Bond Acceptor: 4
# Aromatic Rings: 0	# Rings: 1
# Rotatable Bonds: 8

Identifiers:

CAS Registry Number: 468-27-9,476-56-2

Formula: C25H36O4

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: UNCDMWKTFLUPHZ-UHFFFAOYSA-N

Links:

[1]	PubChem	373677
[2]	ZINC	ZINC000100017362