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
SN00328702	C(=O)(N)[C@@H](CCC)C	B	0.952000022
SN00328830	C1(=O)N(CC[C@H]1O)C	B	0.962000012
SN00328839	[C@@H](C[C@@H](CC)C)(CCCCCCCCCCCCCCCCC)C	B	0.958000004
SN00329002	[As](C)(C)C	B	0.995999992
SN00329127	c12c([C@@H](CC[C@H]3[C@H](CN(CC3)C)CC)O)ccnc1ccc(c2)OC	B	0.967999995
SN00329149	[P@](=O)(CCN(C)C)(O)OCC	B	0.952000022
SN00329192	C1(=O)N([C@@H](C(=O)N([C@H]1[C@@H](C)C)O)[C@H](C)C)O	B	0.959999979
SN00329197	C(=O)(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCC	B	0.995999992
SN00329256	c12c(c(c(cc1occc2=O)O)OC)OC	B	0.952000022
SN00329360	[C@@H](OC(=O)C)(CCC)C	B	0.984000027
SN00329363	c1(C(=O)OCCCCCCCC[C@@H](C)C)ccc(cc1)O	B	0.963999987
SN00329437	C(/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C)C/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(\C)C)C)C)C)C	B	0.953999996
SN00329710	[C@@H](CC)(C=C)O	B	0.986000001
SN00329841	C(=O)(OCCCCC/C=C\CCCCCCC)C	B	0.976000011
SN00329939	C(=O)(OCC)CC=C	B	0.959999979
SN00330029	[C@H]1(N(CCC1)C)CC(=O)C	B	0.953999996
SN00330067	c12c(c(=O)oc(c1)C=O)cccc2	B	0.952000022
SN00330153	C([C@H](C)C)CCCCCCCCCCCCCC	B	0.995999992
SN00330186	C(=O)(OCC[C@H](C)C)CCC	B	0.984000027
SN00330522	C(=O)(/C=C/CCCCCC)OCC	B	0.963999987
SN00330556	c12c(c(c(c(c1OC)OC)OC)OC)c(=O)cc(o2)c1ccccc1	B	0.984000027
SN00330638	[C@H](CCCC)(CC)C	B	0.995999992
SN00330762	c1(CCCCCCCCCCCCCCC)ccccc1	B	0.970000029
SN00330944	N1([C@@H](C)C)CCCCC1	B	0.99000001
SN00331057	c12c(n(c3c(c2=O)cccc3)C)O[C@@]([C@@H]1O)(C)C	B	0.952000022

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