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
SN00132326	C(=S)(N)NN	B	0.952000022
SN00132613	Cn1c(cnc1SC)C(=O)OC	B	0.952000022
SN00133275	C/C(=C\C(=O)C)[C@](C)(C)C	B	0.952000022
SN00134324	CC[NH+](CC)CCN(CC)CC	B	0.952000022
SN00134336	C[C@@H](C)CC[C@@]1(C(=N)N(C(=NC1=O)[O-])C)CC[C@H](C)C	B	0.952000022
SN00134478	Cc1cc(cc(=O)o1)c1ccccc1	B	0.952000022
SN00134802	c1cc(ccc1/N=N/c1c(nn2c1nc([O-])cc2[C@](F)(F)F)N)[S@@](=O)(=O)[O-]	B	0.952000022
SN00134831	C[C@@H](C)C[C@@]1(C(=O)N(C(=N1)c1ccccc1)C)C	B	0.952000022
SN00134832	C[C@@H](C)C[C@]1(C(=O)N(C(=N1)c1ccccc1)C)C	B	0.952000022
SN00135509	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C/[C@@H](Cc1ccccc1)C(=O)[O-])C2=O	B	0.952000022
SN00135825	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C\[C@@H](Cc1ccccc1)C(=O)[O-])C2=O	B	0.952000022
SN00136564	C[C@@H](CCCC(=C)C)CCBr	B	0.952000022
SN00136565	C[C@H](CCCC(=C)C)CCBr	B	0.952000022
SN00137941	CC[C@]([C@](F)(F)F)([C@](F)(F)F)NC(=O)O[C@H](C)C	B	0.952000022
SN00138373	CCCCN(CCCC)C(=O)[C@@]([C@](F)(F)F)([C@](F)(F)F)Br	B	0.952000022
SN00138477	CCN(CC)C(=O)[C@]([C@](F)(F)F)([C@](F)(F)F)Cl	B	0.952000022
SN00138801	c1ccc(c(c1)NC(=O)[C@@]([C@](F)(F)F)([C@](F)(F)F)Br)F	B	0.952000022
SN00139218	C[C@@H](C)N([C@@H](C)C)C(=O)[C@@]([C@](F)(F)F)([C@](F)(F)F)Br	B	0.952000022
SN00139490	CC/C(=N\OCO/N=C(/CC)c1ccccc1)c1ccccc1	B	0.952000022
SN00140643	CCCCCC[C@@]1(C(=N)NC(=NC1=O)[O-])CCCCCC	B	0.952000022
SN00140644	CCCC[C@@]1(C(=NC(=S)NC1=O)[O-])CCCC	B	0.952000022
SN00141444	CC[C@]1(C(=NC(=S)NC1=S)[S-])c1ccccc1	B	0.952000022
SN00142594	c1ccc(cc1)c1c([O-])n2[C@@H]3CC(=O)C[C@H](n2c1=O)C=C3	B	0.952000022
SN00144057	C[C@@H](C)C(=O)Oc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Cl	B	0.952000022
SN00144076	CCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(c2=O)c1ccccc1	B	0.952000022

Page 5 of 163