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
SN00118512	C[C@H](Cc1ccccc1)C(=O)[O-]	B	0.966000021
SN00118513	COc1nc(nc(n1)OC)OC	B	0.963999987
SN00118545	c1ccc2c(c1)c(=O)c1cc3c(cc1c2=O)c(=O)c1ccccc1c3=O	B	0.958000004
SN00118565	Cn1cnc2c1n(c(=O)n(c2=O)C)C	B	0.959999979
SN00118581	C[C@@]1(C(=O)[C@](C1=O)(C)C)C	B	0.973999977
SN00118582	Cn1c2ccccc2nn1	B	0.958000004
SN00118597	C1[C@H]2CC(=O)C[C@H]2CC1=O	B	0.981999993
SN00118604	C[C@@](C)(C)c1cc(cc(c1)[C@](C)(C)C)C(=O)[O-]	B	0.962000012
SN00118648	CCC[C@@]1(C(=O)NC(=S)NC1=O)CCC	B	0.963999987
SN00118651	CC[C@]1(C(=O)NC(=O)N(C1=S)C)CC	B	0.967999995
SN00118662	Cn1c2c(c(=N)c3c1CCC3)CCC2	B	0.972000003
SN00118678	c1cc(ccc1Cn1ccc(=[NH+])cc1)F	B	0.952000022
SN00118764	C[C@@](C)(C)Nc1nc(nc(n1)Cl)N(c1ccccc1)c1ccccc1	B	0.952000022
SN00118770	COc1c(c(c(c(c1Br)Br)OC)Br)Br	B	0.99000001
SN00118822	C[C@H](C)Nc1nc(nc(n1)OC[C@](F)(F)F)N(c1ccccc1)c1ccccc1	B	0.952000022
SN00118866	c1ccc(cc1)n1c2ccccc2c(c1[O-])C=O	B	0.953999996
SN00118981	c1ccc(c(c1)C=O)O	B	0.95599997
SN00118984	C[C@@H](c1ccccc1)O	B	0.972000003
SN00118985	C[C@H](c1ccccc1)O	B	0.972000003
SN00118988	CNc1ccccc1	B	0.958000004
SN00119016	C/C(=C\C(=O)[O-])C	B	0.977999985
SN00119020	c1ccc(cc1)c1ccccc1	B	0.984000027
SN00119023	C[C@@](C)(C)c1ccc(cc1)[C@](C)(C)C	B	0.966000021
SN00119094	Cc1ccccc1n1c(=O)ccc(n1)[O-]	B	0.953999996
SN00119109	c1ccc(cc1)CN1C(=O)CSC1=S	B	0.952000022

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