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
SN00337439	c12c(oc3c(c1=O)cccc3OC)c(c(cc2OC)OC)OC	B	0.952000022
SN00337635	[C@@H]1([C@@H](c2c3c(ccc(c3)OC)ncc2)O)N2C[C@@H]([C@H](C1)CC2)C=C	B	1
SN00337718	[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	B	0.95599997
SN00337816	C(=O)(O[C@H](CCCCCC)C)c1ccccc1	B	0.952000022
SN00337897	[C@@H](CCCCC)(CCCCCCCCCCCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00337921	c12c(c(c(=O)oc1cccc2C)OC)OC	B	0.952000022
SN00338052	[C@@H]1([C@@H]2[C@H](CSS2)O)N(CCC1)C	B	0.95599997
SN00338167	C(=C\CCCCCCCCCCCCC/C=C/CCCCCCCC)/C=C	B	0.959999979
SN00338187	c12C(=O)O[C@H](Cc1c(cc(c2O)C)C)C	B	0.963999987
SN00338511	[C@@H](OC(=O)C)(CCCCC)CC	B	0.991999984
SN00338568	c1(c(c(n(c1Br)C)Br)Br)Br	B	0.987999976
SN00338942	C1(=C(C(=O)C(=C(C1=O)O)C)C)OC	B	0.963999987
SN00339059	[C@@]([C@@H](C)C)(C=C)(O)C	B	0.976000011
SN00339161	[C@H]12C3=C(CC[C@@H]3[C@@H](CC[C@H]2C(=C)C(=O)O1)C)C	B	0.966000021
SN00339412	C(=C\CCC)/[C@@H](C=C)O	B	0.973999977
SN00339599	O(C(=O)CCCC)C(=O)CCCC	B	0.977999985
SN00339702	N1[C@@H](CCC[C@H]1C)C	B	0.987999976
SN00339947	C(=O)OCCCCCCC/C=C/CCCCC	B	0.970000029
SN00339953	S(C)C	B	0.973999977
SN00340103	N#CCCCCCCCCCCCC	B	0.970000029
SN00340145	O=CC[C@H](CCC[C@@](OC)(C)C)C	B	0.973999977
SN00340274	[C@H]1(N([C@@H](C)C)CCC1)c1cnccc1	B	0.959999979
SN00340405	C1(=CC=C(CCC=C(CCC=C(CC1)C(=O)O)C)C)[C@@H](C)C	B	0.959999979
SN00340509	c12c(c(c(c(c1OC)OC)OC)OC)c(=O)cc(o2)c1ccc(cc1)O	B	0.980000019
SN00340560	[C@@H]12[C@H]([C@@H](C(=O)O1)C)CC[C@H](C2)C	B	0.967999995

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