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
SN00379700	C([C@H](CCCCCCCCCCCCCCCCCCCCCCCC)C)[C@@H](CCCCCCCCCCCCCC)C	B	0.986000001
SN00379778	C(=O)([C@H](C)C)OC/C=C(/CC/C=C(/C)C)C	B	0.986000001
SN00379801	C(=O)(OCCCCC)CC/C=C\CC	B	0.967999995
SN00379839	O(C(=O)[C@@H](C)C)C(=O)[C@@H](C)C	B	0.962000012
SN00379872	c12c3c(cc(c1CCC[C@@H]2C)C)c(co3)C	B	0.952000022
SN00379883	[C@@H](CCO)(CC)C	B	0.963999987
SN00380012	C(=O)([C@H](CC)CCCC)OC	B	0.953999996
SN00380025	C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C)C)(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C)C	B	0.953999996
SN00380082	O=C(CCCCC/C=C\CCCCCCCCCCCCCCCC/C=C\CCCCCCCC)C	B	0.962000012
SN00380129	[N@+](CCCC(=O)OCC)(C)(C)C	B	0.970000029
SN00380249	c12n(c(=N)n(c(=O)c1n(cn2)C)C)C	B	0.963999987
SN00380304	O=C(CCCCCCCCCCCC)C	B	0.987999976
SN00380354	[C@@H](CCCCCC)(C=C)O	B	0.967999995
SN00380379	S(=O)=O	B	0.981999993
SN00380421	[C@H](C(=O)CC)(CC)C	B	0.966000021
SN00380430	c12c(c(ccc1C)C)cccc2	B	0.95599997
SN00380445	[C@]1(CCC(=O)[C@H](CCCC(=C)C=C1)C)(C)C	B	0.958000004
SN00380482	C(=O)(OCC/C=C/CC)CCC	B	0.976000011
SN00380875	[S@@](=O)(=O)(OC[C@H](CCC[C@H](CCC)C)C)O	B	0.963999987
SN00380933	[C@@H](OC(=O)CCCCC)(COC(=O)CCCCCCCCCCCCC)COC(=O)C	B	0.976000011
SN00381092	c12c(oc(cc2=O)c2cc(c(c(c2)OC)O)OC)cc(c(c1OC)OC)OC	B	0.958000004
SN00381365	C(=C\CC[C@H](C=C)C)(\C)C	B	0.99000001
SN00381406	C(=O)(O[C@H](CCCCC[C@@H](CC)C)C)CC	B	0.980000019
SN00381547	c12c(c(c(c(c1O)O)OC)O)c(=O)cc(o2)c1ccc(cc1)OC	B	0.952000022
SN00381658	O=C(CCCCC/C=C\CCCCCCCCCCCCCCCCC/C=C\CCCCCCCC)C	B	0.962000012

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