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
SN00033771	C[C@@H]1C[C@H]2[C@H](C[C@]34[C@@H]1CC[C@]3(O4)C)C(=C)C(=O)O2	B	0.962000012
SN00033772	C[C@H]1C[C@H]2[C@H](C[C@]34[C@@H]1CC[C@]3(O4)C)C(=C)C(=O)O2	B	0.962000012
SN00034563	C[C@@H](C)C(=O)C1=C([C@@](C(=O)[C@](C1=O)(C/C=C(\C)C)C/C=C(\C)C)(C/C=C(\C)C)O)[O-]	B	0.95599997
SN00034564	C[C@@H](C)C(=O)C1=C([C@](C(=O)[C@](C1=O)(C/C=C(\C)C)C/C=C(\C)C)(C/C=C(\C)C)O)[O-]	B	0.95599997
SN00034570	Cc1nnc(o1)C	B	0.959999979
SN00034658	Cn1/c(=C/c2ccccc2)c(=O)n(/c(=C/c2ccccc2)c1=O)C	B	0.959999979
SN00034757	Cn1c2ccccc2c2c1ccc1ccccc1c2=O	B	0.963999987
SN00034976	Cc1c(=O)c2c(cc(cc2oc1c1ccc(c(c1)OC)O)O)O	B	0.95599997
SN00035084	CC[C@H]([C@H](CC)C(=O)[O-])C(=O)[O-]	B	0.95599997
SN00035117	C([C@@](F)(Cl)Br)Br	B	0.967999995
SN00035118	C([C@](F)(Cl)Br)Br	B	0.967999995
SN00035288	Cc1c(nc(s1)N)[S-]	B	0.95599997
SN00035866	Cn1c2ccccc2c2c1c(=O)c1ccccc1c(c2)C=C	B	0.952000022
SN00035945	CSc1ncn2c(n1)ccn2	B	0.952000022
SN00036076	c1ccc(cc1)C[C@@H](C(=O)[O-])O	B	0.967999995
SN00036077	c1ccc(cc1)C[C@H](C(=O)[O-])O	B	0.967999995
SN00036096	COc1ccc(cc1)c1cc(=O)c2c(c(c(c(c2o1)OC)O)OC)O	B	0.959999979
SN00036108	CCCCCCCCCCCc1cc(=O)c2ccccc2n1C	B	0.972000003
SN00036146	C[C@@H]1C[C@](C[C@@H](C1=O)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O)(C)OC(=O)C	B	0.959999979
SN00036158	CC1=CC[C@@]23[C@H]1[C@@H]1[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O1	B	0.972000003
SN00036287	C[C@@H]1C[C@H](C(=O)[C@H](C1)[C@H](C[C@H]1CC(=O)NC(=O)C1)O)C	B	0.958000004
SN00036296	C[C@@H]1C[C@@](C[C@@H](C1=O)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O)(C)OC(=O)C	B	0.959999979
SN00036297	C[C@H]1C[C@@](C[C@@H](C1=O)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O)(C)OC(=O)C	B	0.959999979
SN00036298	C[C@H]1C[C@](C[C@@H](C1=O)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O)(C)OC(=O)C	B	0.959999979
SN00036329	C/C(=C\Cc1c(cc2c(c1O)c(=O)c1c(o2)cc(c(c1C/C=C(\C)C)O)O)O)C	B	0.95599997

Page 16 of 163