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
SN00313010	c12c3c(c(c(cc3)O)C)ccc1ccc(c2C=C)C	B	0.952000022
SN00313074	[C@@H]1(C[C@H](CCC1)C)CC	B	0.958000004
SN00313077	[C@@H]1(C(=O)CC(=O)C1)CCCCCCCC	B	0.977999985
SN00313117	C(C[C@H](CCCC)C)C[C@@H](CCCCCCCC)C	B	0.991999984
SN00313121	C(=O)(OCC)CC/C=C\CCCCCCCCC	B	0.95599997
SN00313172	[C@H]1([C@H]([C@H](C)C)CC[C@H](C1)C)OC(=O)C	B	0.973999977
SN00313198	c12n(ccc1C=O)CCC2	B	0.963999987
SN00313245	C(=C\CC/C(=C\CO)C)(\CC/C=C(\C)C)C	B	0.966000021
SN00313313	C([C@@H](C)C)CCCCCCCCCC	B	0.995999992
SN00313317	[C@@H](CCCCC[C@@H](CC=C)C)(CCCCCCCCCCCCCCCCCCCCCCCCCCC)O	B	0.970000029
SN00313324	c12c3c(oc1oc1c(c2=O)c(cc(c1)O)O)cccc3	B	0.952000022
SN00313416	[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
SN00313540	[C@@H]12[C@@]3([C@@H](C3)C[C@]1(CC[C@@H]1[C@H]2OC(=O)[C@@H]1C)C)C	B	0.952000022
SN00313729	[C@@H](NC)(CC)C	B	0.99000001
SN00313759	C(=O)(OCCC/C=C/CCCCCCCC)C	B	0.976000011
SN00313820	c1(CCOC(=O)C[C@@H](C)C)ccccc1	B	0.976000011
SN00313826	C(=O)(OCCCCCCCCCC/C=C\CCCCCC)C	B	0.976000011
SN00313985	[C@@]12([C@H](O1)[C@@H]1[C@@H]([C@H](CC(=CCC2)C)O)C(=C)C(=O)O1)C	B	0.953999996
SN00314180	c1(c(c2c(o1)cc(c(c2)OC)OC)C=O)c1c(cc(cc1)O)OC	B	0.962000012
SN00314274	C(=O)(Cc1ccccc1)Br	B	0.970000029
SN00314502	c12c(cc(c(c1)OC)OC)occc2=O	B	0.970000029
SN00314512	[C@]([C@@H](C)C)(/C=C/C(=O)C)(CC)O	B	0.973999977
SN00314535	n1cc([C@H](CCCCCCCCCCCCCN(OC)C)C)ccc1	B	0.952000022
SN00314544	c12c(oc(cc1=O)c1cc(c(cc1)O)C/C=C(\C)C)cc(cc2)O	B	0.952000022
SN00314700	[C@@]12(C(=C(CCC2)C)[C@@H]2[C@H](CC1)C(=C)C(=O)O2)C	B	0.95599997

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