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
SN00129045	C[C@@H](C)CN/C=C(/C)C(=O)c1ccccc1	B	0.953999996
SN00129304	C[C@@H](C)/N=C\1[C@@](C(=O)N1[C@H](C)C)(c1ccccc1)c1ccccc1	B	0.953999996
SN00129462	C/C=C\1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.963999987
SN00129463	C/C=C\1[C@@H]2CC[C@](C1=O)([C@]2(C)C)C	B	0.963999987
SN00129465	CCN(CC)C(=O)/C=C/1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.95599997
SN00129469	CC/C=C/1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.972000003
SN00129470	C[C@]12CC[C@H]([C@@]1(C)C)C(=C)C2=O	B	0.963999987
SN00129471	C[C@@]12CC[C@@H]([C@]1(C)C)C(=C)C2=O	B	0.963999987
SN00129516	CC1=C(C(=O)[C@@H](CC1)[C@H](C)C)C=O	B	0.987999976
SN00129517	CC1=C(C(=O)[C@H](CC1)[C@H](C)C)C=O	B	0.987999976
SN00129518	C[C@@H]1CC[C@@H](C(=O)C1=C)[C@@H](C)C	B	0.980000019
SN00129519	C[C@H]1CC[C@@H](C(=O)C1=C)[C@@H](C)C	B	0.980000019
SN00129520	C[C@@H]1CC[C@H](C(=O)C1=C)[C@@H](C)C	B	0.980000019
SN00129521	C[C@H]1CC[C@H](C(=O)C1=C)[C@@H](C)C	B	0.980000019
SN00129616	C[C@]12CC[C@H]([C@@]1(C)C)C(=C(C2=O)Br)Br	B	0.984000027
SN00129617	C[C@@]12CC[C@@H]([C@]1(C)C)C(=C(C2=O)Br)Br	B	0.984000027
SN00129895	C[C@@H]1CC(=O)N(C(=C1C(=O)C)C)C	B	0.95599997
SN00129896	C[C@H]1CC(=O)N(C(=C1C(=O)C)C)C	B	0.95599997
SN00129898	CC(=O)C1=CN(C(=O)CC1)C	B	0.952000022
SN00129914	C[C@@](C)(C)/[N+]=C/c1c2ccccc2ccc1[O-]	B	0.973999977
SN00130198	C[C@@H](C)/C(=C/C(=O)C)C	B	0.980000019
SN00130663	c1ccc(cc1)CO/N=C(\c1ccccc1)N	B	0.970000029
SN00130887	C[C@H]1[C@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C	B	0.981999993
SN00130952	Cc1cn(c(c1C(=O)C)C)C	B	0.966000021
SN00131017	Cn1c2ccccc2c(=[NH+])c2c1CCC2	B	0.966000021

Page 43 of 163