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
SN00389011	[C@H]12N([C@H](C[C@@H]1O)C[C@@H](C2)OC(=O)c1ccccc1)C	B	0.953999996
SN00389049	[C@@H]([C@H](CC)C)(O)CC	B	0.962000012
SN00389159	c12c(c(=O)cc(o1)c1cc(c(c(c1)O)O)O)c(cc(c2O)O)O	B	0.953999996
SN00389261	[C@H](CCCCCCCCCCCCCCCCCCC)(CCCCCCC)O	B	0.991999984
SN00389281	C(=O)OCCCCCCCC	B	0.991999984
SN00389321	C([C@@H](CC)C)[C@H](CC)C	B	0.95599997
SN00389364	c12c(O[C@H](C(=O)N1O)O)cccc2	B	0.95599997
SN00389503	[C@H](OC)(OC)CCCCCCCC	B	0.973999977
SN00389545	c12c(c(nc(=O)n1C)N)n(cn2)C	B	0.953999996
SN00389608	O(C(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCC/C=C\CCCCCCCC	B	0.967999995
SN00389626	n1(c(=O)c(c(n1C)C)NC)c1ccccc1	B	0.981999993
SN00389743	C([C@@H](O)C)CCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.981999993
SN00389756	c12c(cc(c(c2)OC)OC)ccn(c1=O)C	B	0.963999987
SN00389789	C(=C(\[C@H](C)C)C)\C(=O)OCC	B	0.981999993
SN00390288	C(=O)([C@@H](CC)C)OCCCC	B	0.95599997
SN00390330	c12c(oc(cc2=O)c2cc(c(c(c2)OC)OC/C=C(\C)C)OC)cc(c(c1OC)OC)OC	B	0.959999979
SN00390348	[C@@H]1([C@H]2OC(=O)C[C@@H]1CC2)C/C=C\CC	B	0.953999996
SN00390658	[C@H]12N(C[C@H]3C[C@@H]1CN1[C@H]3C[C@H](CC1)O)C(=O)CCC2	B	0.967999995
SN00390660	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00390900	c12c(oc(c(c1=O)[O-])c1c(cc(cc1)O)O)cc(cc2O)O	B	0.972000003
SN00390909	[C@]12(C(=C(CCC2)C)[C@@H]2[C@H](CC1)C(=C)C(=O)O2)C	B	0.95599997
SN00390921	C(=O)(OCCCCCC/C=C/CC/C=C/CCCC)C	B	0.976000011
SN00391028	[C@@H](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	B	0.986000001
SN00391067	C(=O)(OC/C=C/CCC)CCCCC	B	0.987999976
SN00391108	n1c(C(=O)OCC)cccc1C(=O)OCC	B	0.953999996

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