BitterDB ID=657

Cynaropicrin

BitterDB id=657
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Rodgers S, Glen RC, Bender A (None). Characterizing bitterness: identification of key structural features and development of a classification model. J Chem Inf Model 46(2): 569-76. PubMed 16562985
[2]	URL link
[3]	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	The predominant bitter principle in artichoke leaf extracts
[4]	PubMed 7878097
[5]	URL link	twice the bitterness of quinine

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r46	3.0		PubMed:17595105

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.04 [mM]	Reference

Properties:

Mol. Weight: 346.3800 [g/mol]	AlogP(octanol-water): 1.05760
# Hydrogen Bond Donor: 2	# Hydrogen Bond Acceptor: 6
# Aromatic Rings: 0	# Rings: 3
# Rotatable Bonds: 3

Identifiers:

CAS Registry Number: 35730-78-0,36874-77-8

Formula: C19H22O6

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: KHSCYOFDKADJDJ-NQLMQOPMSA-N

Links:

[1]	PubChem	119093
[2]	ZINC	ZINC000004098049	ZINC000008552071	ZINC000008552072	ZINC000008552073	ZINC000008552074