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
SN00131031	c1ccc(cc1)C[C@@H](Cc1ccccc1)[NH3+]	B	0.952000022
SN00131224	C[C@@](C)(C)N=O	B	0.994000018
SN00131327	CCC(=O)NN(C)c1ccccc1	B	0.973999977
SN00131512	C1C(=O)NC(=O)N1	B	0.977999985
SN00131530	C=CC[C@@]1(C(=O)NC(=O)NC1=O)CC=C	B	0.991999984
SN00131598	CN(c1ccccc1)NC(=O)Cc1ccccc1	B	0.963999987
SN00131623	C[C@@](C)(C)[S@@H](=O)c1ccccc1	B	0.966000021
SN00131624	C[C@@](C)(C)[S@H](=O)c1ccccc1	B	0.966000021
SN00131681	CC[C@@H](C)N([C@H](C)CC)C(=O)c1ccccc1Cl	B	0.966000021
SN00131685	CC[C@H](C)N([C@@H](C)CC)C(=O)c1ccccc1Cl	B	0.966000021
SN00131788	c1(=S)[nH][nH]c(=S)[nH][nH]1	B	0.994000018
SN00131901	CCCCC[C@@H](C)CC=O	B	0.991999984
SN00131902	CCCCC[C@H](C)CC=O	B	0.991999984
SN00131907	CC[C@]1(C(=O)N/C(=N/CCO)NC1=O)CC	B	0.952000022
SN00131945	c1ccc(cc1)C[NH3+]	B	0.966000021
SN00132002	CCCC[C@@]1(C(=N)NC(=NC1=O)[O-])CC	B	0.962000012
SN00132003	CCCC[C@]1(C(=N)NC(=NC1=O)[O-])CC	B	0.962000012
SN00132078	CC[C@@]1(C(=N)NC(=O)N(C1=O)C)CC	B	0.953999996
SN00132171	c1ccc(cc1)C[S@@](=O)(=O)F	B	0.967999995
SN00132179	CN(c1ccccc1)NC(=O)CCc1ccccc1	B	0.958000004
SN00132291	CC[C@@H](C)[C@@]1(C(=N)NC(=NC1=O)[O-])CC	B	0.976000011
SN00132293	CCC[C@@H](C)[C@@]1(C(=N)NC(=NC1=O)[O-])CC	B	0.973999977
SN00132326	C(=S)(N)NN	B	0.952000022
SN00132409	c1cc(=O)oc2c1CCCC2	B	0.95599997
SN00132435	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C/C(=O)[O-])C2=O	B	0.977999985

Page 44 of 163