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
SN00276715	O(C)C	B	0.976000011
SN00276897	[C@@]123[C@]4([C@@]5([C@@H]([C@@H]2O)OC(=O)[C@H]5C)O)O[C@H]2[C@]1([C@@H](C[C@H]3OC4=O)[C@](C)(C)C)[C@H](C(=O)O2)O	B	0.970000029
SN00276933	c12c(c(c(c(c1OC)C)O)C)oc(cc2=O)c1ccccc1	B	0.970000029
SN00276938	[C@H](CCCCCCCCCCCCCCCCCCCC)(CCCC)C	B	0.991999984
SN00277162	C(=O)(O[C@@H](CCC)CCCC)C	B	0.995999992
SN00277292	O=CCC[C@H](CCC[C@@H](CC)C)C	B	0.977999985
SN00277433	[C@H]1([C@H](c2c3c(ccc(c3)OC)ncc2)O)N2C[C@@H]([C@H](C1)CC2)C=C	B	1
SN00277465	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00277518	c12c(c(c(cc2O)O)C/C=C(/C)C)oc(cc1=O)c1cc(c(cc1)O)O	B	0.952000022
SN00277567	C(=C\CCCCCCCCCCCCCCCCC)\CCCCCCCC	B	0.970000029
SN00277581	C(=O)(OCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC	B	0.995999992
SN00277683	c1(c2c(cc(c(c2)OC)OC)OC)c(c(=O)c2c(o1)cc(c(c2O)O)OC)OC	B	0.952000022
SN00277770	C1(=O)C(=O)[C@H](C[C@H]1C)C	B	0.99000001
SN00277818	c12c(c(c(c(c1O)OC)O)C)oc(cc2=O)C	B	0.95599997
SN00277828	C(=C(\CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C	B	0.95599997
SN00277938	[C@H](C(=O)OCC)(C(=O)OCC)OC	B	0.967999995
SN00278175	[C@H](CCCCCCCCCCCCCCCC)(CCCCCCCCCC)C	B	0.991999984
SN00278357	C(=O)(/C=C\C[C@@H](CCCCCCCCCC)O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.967999995
SN00278480	[C@@H](CCCCCCCCCCCC)(CCCCCCCCCCCC)C	B	0.991999984
SN00278564	[C@H](CCCCC)(CCCC)C	B	0.991999984
SN00278609	[C@H](/C=C/C(=O)OC)(CC)C	B	0.963999987
SN00278613	[C@@]1(C(=O)C(=C(C(=C1O)C/C=C(/C)C)O)C(=O)C[C@H](C)C)(C/C=C(/C)C)O	B	0.994000018
SN00278614	[C@]1(C(=C(C(=O)[C@@H](C1=O)C/C=C(\C)C)C(=O)C[C@@H](C)C)O)(C/C=C(\C)C)O	B	0.995999992
SN00278804	C(=O)([C@H](CC)C)CC	B	0.966000021
SN00279102	[C@@H](CCC[C@@H](CCCCCCCCCCC)C)(CCCCCCCCCCCCCCCC)C	B	0.991999984

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