VirtualTaste

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
SN00155831	CCCC(=O)OCC	B	0.980000019
SN00155862	CC(=O)C	B	0.970000029
SN00155864	c1ccc(cc1)C=O	B	0.967999995
SN00155868	CCC=O	B	0.977999985
SN00155874	c1ccc(cc1)CC=O	B	0.967999995
SN00155876	CCOC(=O)C	B	0.995999992
SN00155879	C[N@@+](C)(C)[O-]	B	0.995999992
SN00155893	CC(=O)c1ccccc1	B	0.991999984
SN00155894	C[C@@H](C)CCO	B	0.952000022
SN00155895	C[C@H](C)CC=O	B	0.980000019
SN00155898	C=CC=O	B	0.976000011
SN00155902	CCCS	B	0.972000003
SN00155903	C[C@@H](C)S	B	0.984000027
SN00155916	c1ccc2c(c1)c(=O)c1c(o2)c2ccccc2oc1=O	B	0.953999996
SN00155946	c1ccc(cc1)c1cc(=O)c2c(ccc(c2o1)O)O	B	0.967999995
SN00155988	COc1cc(cc(c1OC)OC)CC=C	B	0.966000021
SN00156009	Cn1c2ccccc2c(=O)nc1Cc1ccccc1	B	0.963999987
SN00156028	CCCC(=O)C	B	0.959999979
SN00156030	C[C@@H](C)C(=O)[O-]	B	0.977999985
SN00156036	c1ccc2ccccc2c1	B	0.962000012
SN00156037	C[C@H]1CC[C@@H](C(=O)C1)[C@H](C)C	B	0.991999984
SN00156048	CC1=CC=C(CC1)[C@@H](C)C	B	0.991999984
SN00156049	CC1=CCC(=CC1)[C@@H](C)C	B	0.959999979
SN00156050	C[C@H]1[C@@H]2C[C@@]2(CC1=O)[C@@H](C)C	B	0.95599997
SN00156061	c1ccc2c(c1)ccc1c2cccc1	B	0.959999979

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