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
SN00350034	C(=O)(C[C@H](C)C)OCCCC/C=C\CCCC	B	0.973999977
SN00350043	c12c(ccc(c1)C(=O)C)OCO2	B	0.962000012
SN00350121	[C@@H]12[C@H]3[C@@](C=CC3=C(C[C@@H]([C@H]1C(=C)C(=O)O2)OC(=O)C)C)(O)C	B	0.962000012
SN00350211	[C@]12([C@H]([C@H](C[C@@H]3[C@H](C1)C(=C)C(=O)O3)C)CC[C@@H]2O)COC(=O)C	B	0.95599997
SN00350236	N1([C@@H](CCC[C@H]1C)C)C	B	0.976000011
SN00350252	C(/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C)C)C/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C	B	0.953999996
SN00350255	C(=O)(OCCCCCCCCCCC[C@H](CC)C)C	B	0.995999992
SN00350295	C([C@@H](O)C)CCCCCCCCCCCCCCC	B	0.981999993
SN00350357	C(=O)(Cl)CCCCCCC	B	0.959999979
SN00350374	[C@H](CCCCCCCCCCCCCCCCCCCCCC)(CCCCCC)O	B	0.991999984
SN00350474	C(/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C)C)C/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C	B	0.953999996
SN00350502	C1(=O)C[C@H](CC(=O)CC1)O	B	0.95599997
SN00350732	C(=O)(OCC)CCCCCCCCCCCCCc1ccccc1	B	0.976000011
SN00350738	c12c(c(c(c(c1OC)OC)OC)OC)oc(cc2=O)c1cc2c(cc1)OCO2	B	0.958000004
SN00350749	[C@@H](CCCCCCCCCCCCCCCCCCCCCCC[C@@H](CC)C)(CCCCCCC)O	B	0.99000001
SN00350907	c1(c2c(=O)c3c(oc2)cc(c(c3)OC)OC)c(c2c(c(c1)OC)OCO2)OC	B	0.963999987
SN00350929	C(=C\CCC)/CCCCCC	B	0.963999987
SN00351051	c1(c(cc(cc1OC)/C=C/COC(=O)C[C@H](C)C)OC)OC	B	0.95599997
SN00351164	[C@H]12[C@]([C@H]1CC=C1[C@]2([C@H](CC(=O)C1)C)C)(C)C	B	0.952000022
SN00351170	[C@@H](CCCCCCC)(CCCC)CCCC	B	0.977999985
SN00351357	[C@@H]1(C(=O)[C@](C[C@H](C1=O)C)(C)C)C(=O)C	B	0.959999979
SN00351404	c1(c(cc(c(c1)OC)C=C)OC)OC	B	0.966000021
SN00351456	c12c(cc(cc2)Cl)nccc1N[C@H](CCCN(CC)CC)C	B	1
SN00351509	C(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCO	B	0.958000004
SN00351527	c12c(c(=O)n(c(=O)n1C)CCCCCC)n(cn2)C	B	0.981999993

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