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
SN00231860	n12c(nc(c1C)CC)CCCC2	B	0.953999996
SN00231928	[C@]12([C@H]3[C@@H]1C[C@@H]([C@@]2(C(=O)Cl)C)C3)C	B	0.953999996
SN00231983	C(CCCCCCCCCCCCCC)CCCCCCCCCCCCC=O	B	0.970000029
SN00232003	[C@@H](C[C@@H](CCCCC)O)(CCCCCCCCCCCCCCCCCCCC)O	B	0.952000022
SN00232019	[C@@]12([C@@]([C@@](C2=O)(c2cocc2)O)(C[C@H]2[C@@]3([C@@H]1CCC[C@H]3C(=O)O2)C)C)C	B	0.958000004
SN00232316	N(=N)C(=O)C	B	0.970000029
SN00232330	O(C(=O)C)CCCCCCCC/C=C/CCCCCCCC	B	0.976000011
SN00232513	C(=C\CCCCC)\C=C	B	0.952000022
SN00232529	c1(c(nc(cn1)C)C)CCC	B	0.95599997
SN00232569	C(=C\COC=O)(\CC/C=C(/C)C)C	B	0.995999992
SN00232701	C(=O)(O[C@H](C)C)CC	B	0.99000001
SN00232950	[C@H](CCCCCCCCCCCCCCCCCC)(CCCCCC)C	B	0.991999984
SN00232977	NCCCCCCCCCCC[C@H](CC)C	B	0.984000027
SN00233023	[C@H]1(C(=O)CCC1)C	B	0.95599997
SN00233111	[C@H](CCCCCCCCCCCC)(CCCO)C	B	0.963999987
SN00233146	[C@@H]1([C@H](c2c3c(ccc(c3)OC)ncc2)O)N2C[C@@H]([C@H](C1)CC2)C=C	B	1
SN00233165	C(=O)(OCCCCCC)CCCCC	B	0.995999992
SN00233216	[C@H]1([C@@H](c2c3c(ccc(c3)OC)ncc2)O)N2C[C@@H]([C@@H](C1)CC2)C=C	B	1
SN00233309	C(=O)(Cl)[C@@H](CCC)C	B	0.958000004
SN00233343	[C@@]12(C(=C(C(=C(C1=O)C(=O)C[C@@H](C)C)O)C/C=C(/C)C)O[C@@H](C2)[C@@](O)(C)C)C/C=C(\C)C	B	0.962000012
SN00233439	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00233566	C(=O)(OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/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)C)C)C)C)C)C	B	0.963999987
SN00233601	C(=C(\CC/C=C(/C)C)C)/COC(=O)CCC	B	0.99000001
SN00233777	C(=C\CCC)(/C(=O)C)C	B	0.963999987
SN00233882	c12c(c(c(c(c2)O)OC)O)c(=O)cc(o1)c1c(cc(cc1)O)O	B	0.953999996

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