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
SN00119920	CCCCCC[NH2+]CCCCCC	B	0.967999995
SN00119938	C=C(c1ccccc1)c1ccccc1	B	0.953999996
SN00119963	CCCCC[NH2+]CCCCC	B	0.967999995
SN00119966	CCO[P@@](=O)(CCl)OCC	B	0.952000022
SN00119967	C[C@H](C)O[P@@](=O)(CCl)O[C@H](C)C	B	0.952000022
SN00119981	CC(=O)Cc1ccccc1	B	0.986000001
SN00120020	Cc1c(c2ccccc2n1C)c1ccccc1	B	0.962000012
SN00120065	C[C@@H](c1ccccc1)[C@@H](C)c1ccccc1	B	0.987999976
SN00120066	C[C@H](c1ccccc1)[C@H](C)c1ccccc1	B	0.987999976
SN00120068	C[C@]1([C@H]2CCC(=O)[C@@H]1C2)C	B	0.980000019
SN00120069	C[C@]1([C@@H]2CCC(=O)[C@H]1C2)C	B	0.980000019
SN00120076	Cc1cn(c2c1cccc2)C(=O)C	B	0.952000022
SN00120086	C#CC(=O)c1ccccc1	B	0.959999979
SN00120115	c1cc(ccc1C=O)C=O	B	0.966000021
SN00120129	C[P@@](=S)(C)[P@@](=S)(C)C	B	0.962000012
SN00120132	CCCCN(CCCC)C(=O)[C@@](F)(F)F	B	0.958000004
SN00120138	c1ccc(cc1)CCNC(=O)c1ccccc1	B	0.962000012
SN00120152	Cc1cc(c(c(c1C)CCl)C)C	B	0.95599997
SN00120155	c1ccc2c(c1)ccc1ccccc1c2=O	B	0.973999977
SN00120173	c1ccc(cc1)/C=C/COC(=O)c1ccccc1	B	0.95599997
SN00120208	C=Cc1ccc(cc1)[S@@](=O)(=O)[O-]	B	0.970000029
SN00120211	Cc1ccncc1[S@](=O)(=O)[O-]	B	0.973999977
SN00120214	CCC[N@@+](C)(C)CCOC(=O)c1ccccc1	B	0.966000021
SN00120219	Cn1cncc1Cl	B	0.953999996
SN00120228	C[C@@](C)(F)F	B	0.987999976

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