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
SN00355833	CC	B	1
SN00355892	[C@@H](CCC[C@@H](CCCCCCCCCCCCC)C)(CCCCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00356118	c12c(c(=O)c3c(o2)cc(cc3)OC)ccc(c1OC)O	B	0.953999996
SN00356129	C([C@H](CCC[C@H](C)C)C)CC/C(=C/CO)C	B	0.952000022
SN00356141	C(C[C@@H](CC)C)C[C@H](CCCCCCCCCCCC)C	B	0.991999984
SN00356250	c12c(c(=O)c3c(o2)cc(c(c3)O)O)c(c(c(c1C/C=C(\C)C)O)C/C=C(\C)C)O	B	0.958000004
SN00356346	C(=O)Oc1ccccc1	B	0.959999979
SN00356411	[N@+]([C@H](C(=O)[O-])Cc1ccccc1)(C)(C)C	B	0.970000029
SN00356429	c12c(c(c(c(c1C)OC)C)O)c(=O)cc(o2)C	B	0.966000021
SN00356527	c12c(c(c(cc2O)O)O)oc(cc1=O)c1cc(c(cc1)O)O	B	0.966000021
SN00356575	[C@@]12(C(=C(CCC2)C)[C@H]2[C@@H](CC1)C(=C)C(=O)O2)C	B	0.95599997
SN00356607	[C@H](CCCCCCC)(CCCCCC)C	B	0.991999984
SN00356695	[C@H](CCCC)(OCC)OCC	B	0.973999977
SN00356753	c12c(=O)c3c(oc1cccc2O)cc(cc3)O	B	0.967999995
SN00356808	c12c(c(=O)c3c([nH]2)cccc3)[nH]c2c1cccc2	B	0.953999996
SN00356851	[C@H](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCC)O	B	0.991999984
SN00356953	C(=O)(C[C@H](C)C)OCC/C=C\CC	B	0.981999993
SN00357155	C(/C(=C/CC/C(=C\CC/C(=C\CO)C)C)C)C/C=C(/CC/C=C(/CC/C=C(\C)C)C)C	B	0.962000012
SN00357179	C(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC	B	1
SN00357262	S=CCC	B	0.970000029
SN00357281	[C@@]1(C(=O)[C@H]2[C@@H](C1)[C@H](OC(=C2C)C=C)C)([C@@H](C)C)O	B	0.953999996
SN00357439	c12c(=O)c(c(oc1c(c(cc2OC)OC)OC)c1ccccc1)O	B	0.952000022
SN00357476	[C@H](OC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	B	0.986000001
SN00357506	[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)(COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCC	B	0.95599997
SN00357821	[C@@H]12[C@@H]3N(C[C@@H](C1)[C@H]1N(C2)CCCC1)CC[C@@H](C3)O	B	0.973999977

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