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
SN00250545	[C@@]1(C(=O)C(=CC[C@@H]1C)C)(C)C	B	0.952000022
SN00250546	C(=C(\C)C)(/C)C	B	0.973999977
SN00250672	C(=S)(N(c1ccccc1)O)NC	B	0.973999977
SN00250988	C(=C\CC/C(=C/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)(/CCC[C@@H](C)C)C	B	0.953999996
SN00250999	[C@H](CCCCCCCCCCCC)(CCCCCO)C	B	0.962000012
SN00251221	c12c(n(c(=O)s1)C)ccc(c2)O	B	0.952000022
SN00251459	[C@]1(C(=S)N(C(=O)N1)C)(c1ccc(cc1)OC)OC	B	0.958000004
SN00251491	[C@@H]1([C@@H](C(=O)OC1)C)C(=O)C	B	0.966000021
SN00251540	C(=O)(O[C@@H](COC(=O)C)COCCCCCCCC/C=C\CCCCCCCC)C	B	0.967999995
SN00251603	[C@@H](CN=C=S)(CC)C	B	0.973999977
SN00251649	C(=O)(OCCCCCCC/C=C\CCCC)C	B	0.976000011
SN00251893	[C@H]1(OC(=O)C[C@H](C1)O)C	B	0.95599997
SN00251924	c12c([C@H](CC[C@H]3[C@H](CN(CC3)C)CC)O)ccnc1ccc(c2)OC	B	0.967999995
SN00251939	S(C(=O)/C=C(\C)C)[C@@H](CC)C	B	0.963999987
SN00251973	O(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC	B	0.991999984
SN00252071	[C@H](CCCCCCCCCCCCCC)(O)C	B	0.981999993
SN00252161	C(=C\COC(=O)CC)(/CC/C=C(/C)C)C	B	0.998000026
SN00252231	[C@@H]12[C@@H]3N(C[C@H](C2)[C@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00252540	[C@@]12([C@H]([C@H](C[C@@H]3[C@H](C1)C(=C)C(=O)O3)C)CCC2=O)C	B	0.952000022
SN00252554	c12c(=O)c(c3ccc(cc3)O)coc1cc(c(c2O)O)O	B	0.970000029
SN00252663	c12c(c(c(c(c1O)OC)OC)OC)oc(cc2=O)c1ccccc1	B	0.970000029
SN00252682	[C@]12([C@@H](Nc3c1cccc3)N(CC2)C)C/C=C(/C(=O)OC)C	B	0.952000022
SN00252996	c12c(O[C@H](C2)[C@@](O)(C)C)c2c(n(c1=O)C)cccc2	B	0.953999996
SN00253025	[C@H]12N([C@H](C[C@@H]1O)C[C@@H](C2)OC(=O)c1cc(c(c(c1)OC)OC)OC)C	B	0.959999979
SN00253217	C(=O)([C@@H](C)C)OCCc1ccccc1	B	0.981999993

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