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
SN00353430	C(CCCCCCC=O)/C=C\CCCCCC	B	0.959999979
SN00353788	C(=O)(OCCCCCCC/C=C\CCCCC)C	B	0.976000011
SN00353789	[C@@]12(C(=C(C(=O)[C@@](C1=O)(C/C=C(/C)C)C)C(=O)[C@@H](C)C)O[C@@H](C2)[C@@](O)(C)C)O	B	0.953999996
SN00353957	[C@H](CCC)(NC)C	B	0.972000003
SN00354049	[C@@]12(OC(=O)C[C@H](C2)C)[C@H]2CN([C@@H](C1)CC2)C	B	0.953999996
SN00354084	C([C@H](C)C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00354246	N1(C[C@@H](C[C@H](CC)C)CCC1)CC	B	0.966000021
SN00354437	C(=O)([C@H](CCC)C)OCC	B	0.963999987
SN00354447	O=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C	B	0.987999976
SN00354477	C1(=S)NC[C@H](O1)C=C	B	0.976000011
SN00354483	C(=O)(O[C@H](C)C)CCC	B	0.972000003
SN00354559	C(#C)[C@@H](/C=C/CCCCCCCCCCCCCCC)O	B	0.953999996
SN00354997	c1(ccccc1)CCNC	B	0.952000022
SN00355014	C(=C\CCO[C@H](OCC)C)/CC	B	0.977999985
SN00355136	c12c(=O)c(c(oc1cc(cc2O)O)c1cc(c(cc1)O)O)C/C=C(\C)C	B	0.967999995
SN00355174	N1[C@@H](CCC[C@H]1CCCCCCCCCCCCC)C	B	0.973999977
SN00355219	C1(=C(C(=O)[C@@H]([C@H](C1=O)C)C)OC)OC	B	0.972000003
SN00355280	C12=C(C[C@@H]3N([C@H]1CC3)C)O[C@@H]([C@H](C2=O)C)C	B	0.958000004
SN00355297	[C@H]1([C@H](c2c3c(ncc2)cccc3)O)N2C[C@@H]([C@H](C1)CC2)C=C	B	0.967999995
SN00355328	C(=C\CC/C(=C/CC/C(=C/CC/C(=C\CO)C)C)C)(/CC/C=C(/C)C)C	B	0.962000012
SN00355368	C(S)S	B	0.970000029
SN00355401	C(=O)OCCCCCCC/C=C\CCCCC	B	0.970000029
SN00355510	c1(c2cc(c(cc2)O)OC(=O)[C@H](C)C)c(c(=O)c2c(o1)cc(cc2O)O)O	B	0.963999987
SN00355571	NCCCCCC	B	0.959999979
SN00355792	[C@@H](CCC[C@@H](CCCCCCCC)C)(CCCCCCCCCCCCCCCC)C	B	0.991999984

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