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
SN00256114	O=C(CCC[C@@H](CCCCC[C@@H](CCC)C)C)C	B	0.962000012
SN00256458	[C@H](CCCCCCCCCCCCCCCCCCCCC)(C)C	B	0.995999992
SN00256580	C(=O)(OCC[C@H](C)C)CCCCCCCC	B	0.991999984
SN00256655	C(C(=O)C)CCCCCCCCCCCCCCC	B	0.987999976
SN00256810	[N@+]([C@@H](C(=O)[O-])C[C@@H](C)C)(C)(C)C	B	0.973999977
SN00256884	c12c(cc(c(c1)O)C)ccc(=O)o2	B	0.970000029
SN00256993	c1(C(=O)OCCCc2ccc(cc2)O)ccccc1	B	0.953999996
SN00257005	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCC)(CCCC)C	B	0.991999984
SN00257012	C(=O)([C@@H](CC)C)OCCCCCCC	B	0.959999979
SN00257173	C(=O)(c1ncccc1)OC	B	0.952000022
SN00257751	c1(C(=O)OCC)c(NC)cccc1	B	0.962000012
SN00257770	c12c(oc3c(c1=O)cc(cc3)OC)c(c(cc2OC)OC)OC	B	0.958000004
SN00257781	[C@@H](CCCCCCCCCO)(CCCCCCCC)C	B	0.962000012
SN00257840	c1(c(c(c(c(c1O)C/C=C(\C)C)O)C/C=C(\C)C)O)C(=O)[C@@H](CC)C	B	0.967999995
SN00257866	C(=O)([C@@H](CC)C)OCCCCCC	B	0.959999979
SN00258144	[C@@H]1(C(=O)[C@H](C[C@](C1)(OC(=O)C)C)C)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O	B	0.959999979
SN00258150	c12c(c(cc(c1OC)OC)OC)cc(cc2OC)C=O	B	0.953999996
SN00258199	C(=O)(/C=C\CCC)OC	B	0.963999987
SN00258211	C(CCCCCCCCCCCCC)CCCCCCCCCCCO	B	0.958000004
SN00258276	C(/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C	B	0.958000004
SN00258403	[C@@H](OC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	B	0.986000001
SN00258625	c12c(oc(cc2=O)c2ccccc2)c(c(c(c1O)C=O)O)C	B	0.959999979
SN00258729	c1(c(c(ccc1C)C)C)CC[C@@H](O)C	B	0.959999979
SN00258758	c12c(oc(cc2=O)c2cc(c(cc2)O)OC)cc(c(c1OC)OC)OC	B	0.972000003
SN00258821	C1(=C(C(=O)C(=C(C1=O)SC)SC)SC)SC	B	0.952000022

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