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
SN00267772	C(/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C)C/C=C(/CC/C=C(/CC/C=C(/C)C)C)C	B	0.962000012
SN00267835	[C@@H](CCC/C(=C\COC(=O)C)C)(CC/C=C(/C)C)C	B	0.976000011
SN00267958	[C@@H]1([C@@H]2N(CCC2)C)SSC[C@@H]1O	B	0.95599997
SN00268036	[C@H]([C@H](CC)C)(O)CCCC	B	0.972000003
SN00268071	C(CCCCCCCCC)CCCCCCCC=O	B	0.970000029
SN00268172	[C@H](CCCCCCCCCCCCCCC)(CCCCCCCCCCCCC)O	B	0.991999984
SN00268173	C1(=O)CCCCC1	B	0.981999993
SN00268191	[C@@H](CCCCCCCCCCCCCO)(CCCC)C	B	0.959999979
SN00268201	C(=O)(OCCC/C=C/C=C/CCC/C=C\CCCC)C	B	0.953999996
SN00268205	C12=C(C(=O)C(=O)C(=C1O)C)[C@H](CC[C@@H]2[C@@H](C)C)C	B	0.963999987
SN00268206	C(=C\CCCCCCCCCC=O)\CCCCCC	B	0.962000012
SN00268381	c12c(OC[C@H](CN[C@@H](C)C)O)cccc1cccc2	B	0.963999987
SN00268400	[C@@]12(CC(=O)CC1)CCCC2	B	0.95599997
SN00268476	[C@]123[C@]([C@H](c4cocc4)OC(=O)[C@H]1O2)(C[C@H](C[C@H]3C)O)C	B	0.953999996
SN00268501	[C@]12([C@@H](O1)[C@@H]1[C@@H](C(=C)C(=O)O1)CCC(=CCC2)C)C	B	0.973999977
SN00268639	S	B	1
SN00268718	c1(c(cc(cc1OC)C(=O)OCC)OC)OC	B	0.967999995
SN00268747	[C@@]12([C@H]([C@H]3[C@H](CC2)[C@@]2([C@H](C[C@@H]3O)C[C@@H](CC2)O)C)CC[C@@H]1[C@@H](CCC(=O)O)C)C	B	0.952000022
SN00268769	O=C(CCC[C@H](CCCCC[C@@H](CCC)C)C)C	B	0.962000012
SN00269007	N1[C@@H](CCC[C@H]1CCCCCCCCCCC)C	B	0.973999977
SN00269189	[C@@H]1(N[C@H](CC1)CCCCC)CCCCCC	B	0.976000011
SN00269256	[C@]12([C@H](O1)[C@@H]1[C@H](C(=C)C(=O)O1)CCC(=CC[C@@H]2O)C)C	B	0.959999979
SN00269422	[C@H]1(C(=O)O[C@@H](C1)C)C	B	0.972000003
SN00269571	O=C(CCC/C=C\CCCCCCCCCCCCCCCCCCC/C=C\CCCCCCCC)C	B	0.962000012
SN00269723	c12c(ccc(c1)C(=O)O)OCO2	B	0.976000011

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