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
SN00319630	[S@H+](CC(=O)OC)(C)C	B	0.958000004
SN00319773	c1(c(c(cc(c1OC)C)OC)OC)OC	B	0.966000021
SN00319812	[C@]12([C@@H](O1)[C@@H]1[C@@H]([C@H](CC(=CCC2)C)O)C(=C)C(=O)O1)C	B	0.953999996
SN00320023	O(CC)CC[C@@H](C)C	B	0.99000001
SN00320098	c12c(cc(c(c2C)OC)OC)oc(=O)c(c1OC)C	B	0.95599997
SN00320102	[C@H](CCC)(CC)O	B	0.987999976
SN00320111	c1(cc(=O)c2c(o1)cc(cc2)O)c1cc(c(c(c1)OC)OC)OC	B	0.970000029
SN00320390	[S@@](=O)(=O)(OCC[N@+](C)(C)C)O	B	0.981999993
SN00320610	[C@]12([C@](CC[C@@H](C2)[C@H](C)C)(CCCC1=O)C)C	B	0.952000022
SN00320679	C(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCO	B	0.958000004
SN00320692	O=C(CCCCC/C=C\CCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC)C	B	0.962000012
SN00320761	[C@@H](CCCC(=O)C)(CCCCCCC[C@H](CCCC)C)C	B	0.977999985
SN00320793	[C@@H]1(C(=O)[C@H](C[C@](C1)(O)C)C)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O	B	0.966000021
SN00320861	O[C@H](CCCCC[C@H](CC)C)C	B	0.981999993
SN00321077	C(=O)(OCCCCCCCCCCCCCCCCCC)CCCCCCC/C=C\CCCCCCCCCCCCCC	B	0.976000011
SN00321286	c1(c2c(c(c(cc2O)O)C/C=C(/C)C)O)c(=O)c2c(oc1)cc(cc2)O	B	0.953999996
SN00321328	[N@+]([C@H](C(=O)[O-])CCCCN)(C)(C)C	B	0.953999996
SN00321680	C(=O)(Cl)CCCCCCCC	B	0.959999979
SN00321692	[C@@H](CCCCCCCCCCC[C@@H](CCCC)C)(CCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00321694	n1(cccc1)N	B	0.962000012
SN00321708	c12c(n(c(=O)n(c1=N)C)C)ncn2C	B	0.966000021
SN00321780	C(=C\CCCCCCCCCCCCCCC)(\C=C)C	B	0.952000022
SN00321800	C1(=C(C[C@@H](OC1=O)C)C)C(=O)CCCCCCCCCCC	B	0.966000021
SN00321822	C(=O)(Cl)[C@H](CC)C	B	0.976000011
SN00321951	C(=O)(CCCCCCC/C=C\CCCCCCCC)OCCCCCCCCCCCCCC	B	0.976000011

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