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
SN00347912	C(=C(\CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C)\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C	B	0.953999996
SN00347929	C(=C\C[C@@H](O)C)\CC	B	0.970000029
SN00348000	[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)C	B	0.976000011
SN00348046	C(#C)[C@H](/C=C\CCCCCCCCCCCCCCC)O	B	0.953999996
SN00348224	C(=O)(O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)CCCCCCCCCCCCCCCCC	B	0.95599997
SN00348239	[N@@+](C)(C)(C)C	B	0.991999984
SN00348286	O1C(=O)CC[C@H]([C@@H]1C)C	B	0.972000003
SN00348296	C(=C(\[C@@H](C)C)C)\C(=O)OC	B	0.970000029
SN00348351	[C@H]1(N(C(=O)[C@@H](N(C1=O)O)[C@@H](C)C)O)[C@H](C)C	B	0.959999979
SN00348443	[C@@]1(C(=O)c2c(NC1=O)cccc2)(CCCCCCCCC)O	B	0.95599997
SN00348458	c12c(oc(cc2=O)c2cc3c(cc2)OCO3)cc(c(c1OC)OC)OC	B	0.959999979
SN00348544	c12c(oc(cc2=O)c2cc(c(cc2)O)O)cc(c(c1O)C/C=C(/C)C)O	B	0.967999995
SN00348704	C(CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC	B	1
SN00348743	[C@H](CCCCCCCCCCCCCCCCCCC)(CCCCCCCCCC)O	B	0.991999984
SN00348822	C(=O)(OCCCCCC)CCC	B	0.987999976
SN00348924	C(=O)(OC/C=C/CCCCC)C	B	0.967999995
SN00349251	c1(c2cnccc2)n(ccc1)C	B	0.962000012
SN00349299	C(=C\CCCCCCC)/CC	B	0.95599997
SN00349309	c1(c(c(cc(c1OC)OC)CC=C)OC)OC	B	0.958000004
SN00349403	[C@H](CCC[C@H](CCCCCCCCCCCC)C)(CCCCCCCCCCCC)C	B	0.991999984
SN00349518	C(=O)(C[C@@H](CCCCCC)O)OCCCCCC	B	0.959999979
SN00349663	c12c(c(c(c(c2)OC)OC)OC)oc2c(c1=O)ccc(c2)O	B	0.967999995
SN00349731	N(CCc1ccccc1)CC	B	0.95599997
SN00349737	c12c(cc(c(c2)C)CCCC(=O)C)occ1C	B	0.970000029
SN00349843	c12c(oc3c(c1=O)ccc(c3OC)O)cc(c(c2OC)OC)O	B	0.952000022

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