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
SN00383789	C(=C\CCCCCCCCCCCCC)(/C)C	B	0.984000027
SN00383928	C(=C\CCCCCCCCCCCCCCCCCC=O)\CCCCC	B	0.962000012
SN00383967	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\CCCC)(CCCC)O	B	0.966000021
SN00384191	[C@@H](CCCCCCC[C@@H](CC)C)(CCCCCCCCCCCC)C	B	0.991999984
SN00384449	N12[C@](OCO[C@@H](C)C)(CCC1=O)CCC2	B	0.95599997
SN00384605	[C@@H]12[C@H]3C(=C)C(=O)O[C@H]1C(=CC[C@@H]2[C@H](CC3)C)C	B	0.963999987
SN00384754	O=C(CCCCCCC/C=C\CCCCCC)C	B	0.959999979
SN00384917	[C@@H]12[C@@](C[C@@H]3[C@H](C2)C(=C)C(=O)O3)(CC[C@H](C1=O)O)C	B	0.962000012
SN00385117	[C@@]12(C(=C(C(=O)C=C2)C)[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)C	B	0.966000021
SN00385359	[C@@H](CCCCCCCCC[C@@H](CCCCCCCCCCC)C)(CCCCCCCCCCCCC)C	B	0.991999984
SN00385612	C(=O)(OCCCCCCCCCCCCCCCCC)CCCCCCCCCCCC	B	0.995999992
SN00385691	c12c(=O)c(coc2cc(c(c1O)Cl)O)c1ccc(cc1)O	B	0.953999996
SN00385818	[C@H]12C3=C(CC[C@@H]3[C@@H](CC[C@H]1C(=C)C(=O)O2)C)C	B	0.966000021
SN00385890	[C@@H](CCCCCCCCCC/C=C\CCCCCC)(CCCCCCCCC)O	B	0.966000021
SN00385894	c1(CCCCCCCCCC)ccccc1	B	0.970000029
SN00385897	[C@H]12[C@@H]3N(C[C@@H](C2)[C@@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00385924	n1(c(ccc1)C=O)C(=O)C	B	0.972000003
SN00386114	[C@H](OC(=O)CCCCCCC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC	B	0.95599997
SN00386163	c12c(c(c(c(c1C)O)C)O)c(=O)cc(o2)C	B	0.967999995
SN00386165	C(=O)(Cl)[C@@H](CC)C	B	0.976000011
SN00386276	C(=O)(O[C@@H](COC(=O)C)COCCCCCCCCCCCCCCCCCC)C	B	0.99000001
SN00386278	[C@@H](CC)(CCCCCCCCC[C@H](CCCC)C)C	B	0.991999984
SN00386405	N12[C@H]([C@H]3CN4[C@@H]([C@@H](C1)C3)CCCC4)C[C@H](CC2)O	B	0.973999977
SN00386471	[C@]12([C@]3([C@H]([C@]4([C@H](CC3)C(=O)O[C@@H](C4)c3cocc3)C)C[C@@H]([C@H]1O)OC2=O)C)O	B	0.958000004
SN00386497	[C@H]1(c2cnccc2)N(CCC1)C	B	0.967999995

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