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
SN00363203	c1([C@H](C)C)nccnc1	B	0.991999984
SN00363267	[C@H](CCCCCCCCC)(CCCCCCCO)C	B	0.962000012
SN00363278	c1([C@@H](OC(=O)C)C)ccccc1	B	0.998000026
SN00363391	[C@@H](OO)(OCC)C	B	0.953999996
SN00363430	C(=O)(OC/C=C/CCCC)C	B	0.980000019
SN00363451	C1(=O)C(=C(C[C@@H]1CC)CC)O	B	0.952000022
SN00363567	C1(=CC=C(CCC=C(CCC=C(CC1)C)C)C)[C@@H](C)C	B	0.970000029
SN00363570	c12c(c(=O)cc(o1)c1cc3c(cc1)OCO3)cc(c(c2)OC)OC	B	0.953999996
SN00363626	C(=O)(OCCCCCCCC/C=C\CCCCC)C	B	0.976000011
SN00363752	C(=O)(OCC)CCCC[C@H](CC)C	B	0.991999984
SN00363835	c1(C(=O)OCC[C@H](CCC[C@@H](C)C)C)ccccc1	B	0.980000019
SN00363845	N(C=S)([O-])C	B	0.953999996
SN00364268	[C@H](CCCC)(CCC)C	B	0.976000011
SN00364272	c12c(c(c(c(c2O)O)O)O)oc(c(c1=O)O)c1ccc(cc1)O	B	0.953999996
SN00364377	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC	B	0.995999992
SN00364635	C(=O)(O[C@H](CCCCCCCCCCC)C)C	B	0.986000001
SN00364665	[C@]12([C@@](C[C@H]([C@H](C1)OC(=O)C)[C@@H](C)C)(C(=O)CCC2)C)C	B	0.952000022
SN00364713	[C@H]([N@+](C)(C)C)(Cc1ccc(cc1)O)C(=O)[O-]	B	0.962000012
SN00364828	c12c(cc3c(n1)cccc3)cccc2	B	0.963999987
SN00364908	C(=C\CCCCCCCCCCCCCC)/CCCCCCCCCCCCC	B	0.970000029
SN00364986	[N@+](CCOC(=O)c1ccc(cc1)O)(C)(C)C	B	0.953999996
SN00365092	c1(ccccc1)CCCC	B	0.980000019
SN00365099	C1(=O)CC[C@H]1C	B	0.981999993
SN00365118	n1(c(ccc1)C=O)Cc1ccccc1	B	0.962000012
SN00365288	[C@]12([C@@H](C[C@@H]([C@@H]2O)OC(=O)C)[C@H](C[C@@H]2[C@@H](C(=C)C(=O)O2)C1)C)C	B	0.970000029

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