BitterDB ID=899

Silibinin, Silibinind

BitterDB id=899
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Roland WS, van Buren L, Gruppen H, Driesse M, Gouka RJ, et al. (2013). Bitter taste receptor activation by flavonoids and isoflavonoids: modeled structural requirements for activation of hTAS2R14 and hTAS2R39. J Agric Food Chem 61(44): 10454-66. PubMed 24117141
[2]	URL link
[3]	Roland W. S. U. et al. Bitter Taste Receptor Activation by Flavonoids and Isoflavonoids: Modeled Structural Requirements for Activation of hTAS2R14 and hTAS2R39, J. Agric. Food Chem., 2013, 61, 44, 10454â€“10466 PubMed 24117141
[4]	Li L. et al. A comprehensive review of the metabolism of citrus flavonoids and their binding to bitter taste receptors, Comprehensive Reviews in Food Science and Food Safety, 2023, 22(3), 1763-1793 PubMed 36871162

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r14	8.0	56.1	PubMed:24117141
hTas2r14	8.0	56.1	PubMed:36871162
hTas2r39	8.0	99.2	PubMed:24117141
hTas2r39	8.0	99.2	PubMed:36871162

Sensory data about the compound bitterness:

There is no sensory data available

Properties:

Mol. Weight: 482.4400 [g/mol]	AlogP(octanol-water): 2.36270
# Hydrogen Bond Donor: 5	# Hydrogen Bond Acceptor: 10
# Aromatic Rings: 3	# Rings: 5
# Rotatable Bonds: 4

Identifiers:

Formula: C25H22O10

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: SEBFKMXJBCUCAI-HKTJVKLFSA-N

Links:

[1]	PubChem	31553
[2]	ZINC	ZINC000002033589