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
SN00316904	N1([C@@H](CC[C@@H]1CCCC)CCCCCCC)C	B	0.953999996
SN00316905	OCCC[C@H](CCCCC)C	B	0.959999979
SN00317215	C(=O)(CCCCCCCCCCCCCCCCCC)C	B	0.987999976
SN00317233	C(C(=O)OCC)[C@](O)(CC)C	B	0.963999987
SN00317543	[C@H]1(N2C[C@@]([C@H](C1)CC2)(C=C)O)[C@H](c1c2c(ccc(c2)OC)ncc1)O	B	0.963999987
SN00317561	c12c(oc3c2c(cc(c3)O)O)c2c(oc1=O)cc(cc2)O	B	0.963999987
SN00317568	[C@@H]1(C[C@H](CC1)C)CC	B	0.966000021
SN00317779	C(=O)(OCCCCCCCCCC/C=C/CCCC)C	B	0.976000011
SN00317858	[C@@H](CCCCCCCCCCCCCCCCCCCCC)(CC)CC	B	0.976000011
SN00317992	c1(c2c(cc(c(c2)O)O)O)c(c(=O)c2c(o1)cc(cc2O)O)O	B	0.959999979
SN00318236	C(=O)([C@H](Cc1ccccc1)O)OCC	B	0.981999993
SN00318331	[C@@H](CCCCCCCCCCCCCCCO)(CC)C	B	0.963999987
SN00318446	c1(ccccc1)CCCCCCCCCCCCC	B	0.970000029
SN00318466	C(=O)(OCCCCCCCCCCCCCCCC)CCCCCCC/C=C\CCCC	B	0.976000011
SN00318591	C(C(=O)C)CCCCCCCCCCCCCCCCCCCCCCCCCC	B	0.987999976
SN00318791	C(=O)([C@H](OCC)OCC)OCC	B	0.977999985
SN00318900	c1(c(c(cc(c1Br)OC)OC)Br)OC	B	0.977999985
SN00318920	[C@@]123[C@@H]4[C@]([C@@H](C3)CC=C1C(=O)OC[C@@H]2CC4)(C)C	B	0.958000004
SN00318953	C(C[C@@H](CCCCCCCCCCCCCC)C)C[C@H](CCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00319034	[C@@H](OCC)(OCCCCC)C	B	0.991999984
SN00319064	N1[C@@H](CCC[C@@H]1CCCCCCCCCCCCC)C	B	0.973999977
SN00319076	C(=O)(O[C@@H](CCCCC)C)CCCCCCC	B	0.981999993
SN00319087	O=CC[C@@H](CCC[C@](O)(C)C)C	B	0.959999979
SN00319233	C1(=S)NCCO1	B	0.963999987
SN00319279	c12c(c(c(c(c2O)C)O)C)oc(c(c1=O)O)c1ccccc1	B	0.95599997

Page 116 of 163