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
SN00342852	C(=C\CCCCCCCC=O)\CC	B	0.952000022
SN00342933	[N@@+](C=C)(C)(C)C	B	0.99000001
SN00342950	C(=C(\CC/C=C(\C)C)C)\CC/C(=C/C=O)C	B	0.967999995
SN00342952	C(=O)(OCCC/C=C\CCCCCCCC)C	B	0.976000011
SN00342976	C([C@H](C)C)CCCCCCCCCCCCCCCCCC	B	0.995999992
SN00342982	[C@@H](CCC[C@@H](CCCCCCCCCCCC)C)(CCCCCCCCCCCCCCCC)C	B	0.991999984
SN00343087	N1(CCCC)CCCCC1	B	0.953999996
SN00343166	C(=O)(O[C@H](CC)C)CC	B	0.986000001
SN00343213	c12c(c(=N)ccn1C)cccc2	B	0.973999977
SN00343301	[S@](=O)(=O)(OC[C@H](CCC[C@H](C)C)C)[O-]	B	0.966000021
SN00343343	C(=O)(O[C@H](COC(=O)CCCC/C=C/CCCCCCCCCCC)COC(=O)CCCC/C=C/CCCCCCCCCCC)CCCC/C=C/CCCCCCCCCCC	B	0.95599997
SN00343376	c12c(oc(c(c1=O)O)c1cc(c(cc1)O)OC)cc(c(c2O)OC)OC	B	0.952000022
SN00343398	C(=O)(OCC)CCCCCCCCCCCCCCCCCCC(=O)OCC	B	0.987999976
SN00343405	C(=C\CS)(\C)C	B	0.970000029
SN00343631	C(=O)(OCCCC/C=C\CCCC)C	B	0.973999977
SN00343665	[C@H](CCC[C@H](CC)C)(CCCC(=C)C=C)C	B	0.952000022
SN00343845	N1([C@H](c2cnccc2)CCC1)CC	B	0.95599997
SN00343931	c1([C@H](CCCCCCCCCCCCCCCCCCCC)C)ccccc1	B	0.976000011
SN00344012	C(/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CO)C)C)C)C)C)C)C/C=C(\CC/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C)C	B	0.953999996
SN00344320	[C@H]12[C@@H](C[C@H](N1C)CC(=O)C2)OC(=O)c1ccccc1	B	0.95599997
SN00344541	C([C@H](C)C)CCCCCCCCCCCCCCCCCCCCCCC	B	0.995999992
SN00344544	[C@]123[C@@](O2)(CC[C@H]2[C@@H]([C@H]1C(=CC3)C)OC(=O)[C@@H]2C)C	B	0.966000021
SN00344848	C(=C\CCCCCCCCCCCC)/CCCCCCCCCCCCCCC	B	0.970000029
SN00345076	[C@H]12c3c(cc(c(c3)OC)OC)CCN1C[C@@H]([C@H](C2)Cc1c2c(cc(c(c2)OC)OC)ccn1)CC	B	0.963999987
SN00345323	c12c(c(ccc(c2)C(=C)C)C)ccc1C	B	0.952000022

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