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
SN00141250	C[C@H]1CN(N=C1C)C(=O)C	B	0.967999995
SN00141353	CC[C@@]1(/C(=N/[C@@H](C)C)NC(=O)N(C1=O)C)CC	B	0.953999996
SN00141355	CC[C@@]1(/C(=N/CCc2ccccc2)NC(=NC1=O)[O-])CC	B	0.958000004
SN00141356	CC[C@@H](C)[C@@]1(C(=N)N(C(=NC1=O)[O-])C)CC	B	0.963999987
SN00141357	CC[C@H](C)[C@@]1(C(=N)N(C(=NC1=O)[O-])C)CC	B	0.963999987
SN00141358	CCCCC[C@@]1(C(=N)N(C(=NC1=O)[O-])C)CC	B	0.963999987
SN00141359	CCCCC[C@]1(C(=N)N(C(=NC1=O)[O-])C)CC	B	0.963999987
SN00141407	CCCc1ccc(=O)n(c1C)CC	B	0.973999977
SN00141408	Cc1cc(c(=O)oc1C)[S@](=O)(=O)Cl	B	0.967999995
SN00141434	CCC[C@@]1(C(=O)NC(=O)N(C1=S)C)CC	B	0.967999995
SN00141435	CCC[C@]1(C(=O)NC(=O)N(C1=S)C)CC	B	0.967999995
SN00141438	CCC[C@@]1(C(=O)NC(=O)N(C1=S)C)CCC	B	0.95599997
SN00141439	CCCC[C@]1(C(=O)NC(=O)N(C1=S)C)CCCC	B	0.962000012
SN00141444	CC[C@]1(C(=NC(=S)NC1=S)[S-])c1ccccc1	B	0.952000022
SN00141448	CC[C@@]1(C(=N)N(C(=O)N(C1=O)C)C)CC	B	0.981999993
SN00141449	CC[C@@]1(C(=N)N(C(=O)N(C1=O)C)CC)CC	B	0.959999979
SN00141454	CC[C@@]1(/C(=N/[C@@H](C)Cc2ccccc2)NC(=NC1=O)[O-])CC	B	0.958000004
SN00141455	CC[C@@]1(/C(=N/[C@H](C)Cc2ccccc2)NC(=NC1=O)[O-])CC	B	0.958000004
SN00141461	CCCC[C@@]1(C(=N)NC(=O)N(C1=O)C)CCCC	B	0.95599997
SN00141504	C/C(=C/1C(=O)c2ccccc2N(C1=O)c1ccccc1)NC(=N)N	B	0.953999996
SN00141718	C([C@](CF)(CF)CF)F	B	0.976000011
SN00141719	CC[C@](C)(F)F	B	0.995999992
SN00141720	CC[C@@](CC)(F)F	B	0.973999977
SN00141721	C[C@@](C[C@](C)(F)F)(F)F	B	0.980000019
SN00141766	COC(=O)c1cn(nn1)OC	B	0.95599997

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