Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00000110	CC[N@+](C)(C)c1cccc(c1)O	B	0.952000022
SN00000099	c1cc2c(cc1O)oc1c2c(=O)oc2c1ccc(c2)O	B	0.95599997
SN00000083	Cn1cnc2c1c(=O)n(c(=O)n2C)C	B	0.986000001
SN00000077	c1ccc(cc1)COC(=O)c1ccccc1	B	0.984000027
SN00000074	c1ccc(cc1)C(=O)[O-]	B	0.986000001
SN00000051	C[C@@H]1[C@@H]2CC[C@@]3(C=CC(=O)C(=C3[C@@H]2OC1=O)C)C	B	0.981999993
SN00000046	C[NH+](C)CC[C@@H](c1ccccc1)c1ccccn1	B	0.973999977
SN00000017	C[C@](c1ccccc1)(c1ccccn1)OCC[NH+](C)C	B	0.970000029
SN00000011	C[NH+](C)CC[C@@H](c1ccc(cc1)Br)c1ccccn1	B	0.967999995

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