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
SN00260635	[C@@]12(C(=C(CCC2)C)[C@H]2[C@@H](CC1)[C@@H](C(=O)O2)C)C	B	0.959999979
SN00260733	[C@@H]1([C@@H](CC[C@H]1C)C)C	B	0.952000022
SN00260838	[C@@H](OC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	B	0.986000001
SN00260866	c1(c(cc(cc1OC)/C=C/COCC)OC)OC	B	0.959999979
SN00260928	[C@@]12([C@@]([C@H]3[C@H]([C@@H](C2)O)[C@@]2([C@H](CC3)C[C@H](CC2)O)C)(CC[C@@H]1c1coc(=O)cc1)O)C	B	0.953999996
SN00260974	N1[C@@H](CCC[C@@H]1CCCCCCCCCCC)C	B	0.973999977
SN00261012	[C@]1([C@](C(=O)[C@]([C@@H](C1=O)O)(C)C)(C)C)(CCCCC)O	B	0.972000003
SN00261305	C(/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C)C)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)C)C)C)C)C	B	0.953999996
SN00261312	c12c(cc(c(c2)C)[C@@H](CC[C@@H](OC)OC)C)occ1C	B	0.952000022
SN00261390	[C@@]1(C(=O)NC(=O)NC1=O)([C@H](CC)C)CC	B	0.963999987
SN00261421	c1([C@H](OCC)C)ccccc1	B	0.994000018
SN00261534	c12c(OCO1)ccc(c2)CC=O	B	0.967999995
SN00261595	c12c(oc(=O)c(c1OC)C)cc(cc2C)OC	B	0.952000022
SN00261611	[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
SN00261763	C(=O)(Oc1ccccc1)CC	B	0.95599997
SN00261776	C(=O)([C@H](c1ccccc1)OCC)OCC	B	0.95599997
SN00261797	[C@@]12([C@@]([C@@H]3[C@H]([C@@H](C2)O)[C@@]2([C@H](CC3)C[C@H](CC2)O)C)(CC[C@@H]1c1coc(=O)cc1)O)C	B	0.953999996
SN00261852	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCC	B	0.995999992
SN00261891	[S@](=O)(=O)(OCCCCCC[C@@H](C)C)[O-]	B	0.959999979
SN00262074	[C@H](C(=O)OC)(CCCCCCCCCCCCCC)OC	B	0.963999987
SN00262152	C(=O)(N(CC)CC)Cc1ccccc1	B	0.973999977
SN00262267	[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC	B	0.986000001
SN00262289	[C@@H]12N(C[C@H]3C[C@@H]1CN1[C@@H]3CCC1)C(=O)CCC2	B	0.953999996
SN00262364	C(=O)(OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C	B	0.995999992
SN00262398	[C@H]1([C@@H](c2c3c(ccc(c3)OC)ncc2)O)N2C[C@@H]([C@H](C1)CC2)CC	B	0.99000001

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