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
SN00244022	[C@H](S[C@@H](C)C)(C)C	B	0.99000001
SN00244056	[C@@H](CCCCCCCCCCC[C@@H](CCCC)C)(CCCCCCCCCCCC)C	B	0.991999984
SN00244071	C(=C(\CC/C=C(/C)C)C)/COC(=O)CCCCCCCCCCCCC	B	0.998000026
SN00244165	c12c(c(=O)c3c(n2C)cccc3)c(c(c(c1OC)OC)OC)O	B	0.959999979
SN00244313	c12c(oc3c(c1=O)cccc3)c(ccc2)O	B	0.967999995
SN00244323	C(=O)(OCc1ccccc1)CC	B	0.987999976
SN00244420	[C@@H](CCCC)(CCCCC[C@H](CCCCCC)C)C	B	0.991999984
SN00244840	[C@H](C(=O)CC)(CCCC)C	B	0.963999987
SN00245090	C(=C\CCCCCCCCCCCCC/C=C\CCCCCCCC)/C=C	B	0.959999979
SN00245094	[C@H](CCCCCCCCCCC)(CC)C	B	0.995999992
SN00245179	[C@@](C1=CC[C@H](C(=O)C1)C)(O)(C)C	B	0.95599997
SN00245238	C1(=NCCS1)[C@@H](CC)C	B	0.972000003
SN00245251	[C@@H]12N([C@@H](C[C@@H]1O)C[C@@H](C2)OC(=O)c1ccccc1)C	B	0.953999996
SN00245379	[C@@H]([C@@H](CCCCC)C)(CCCCCCCCCCCCCCCCCCCC)C	B	0.994000018
SN00245382	c12c(c(cc(c1C/C=C(/C)C)O)O)c(=O)cco2	B	0.958000004
SN00245458	[C@]123[C@@]4([C@@]5([C@H]([C@@H]2O)OC(=O)[C@H]5C)O)O[C@H]2[C@]1([C@@H](C[C@@H]3OC4=O)[C@](C)(C)C)[C@H](C(=O)O2)O	B	0.970000029
SN00245533	[S@](=O)(=O)(NCCCCCCC[C@H](C)C)[O-]	B	0.953999996
SN00245611	[C@H](OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	B	0.95599997
SN00245632	O(C(=O)CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCC	B	0.991999984
SN00245896	C(=O)NN	B	0.953999996
SN00245906	c1(c2oc3c(c2)cc(c(c3)OC)OC)c(=O)oc2c(c1)cc(c(c2)OC)OC	B	0.973999977
SN00245923	[C@H]12N(C[C@@H]3C[C@H]1CN1[C@H]3C[C@H](CC1)O)C(=O)CCC2	B	0.967999995
SN00246011	C(=C(\CC/C=C(/CC/C=C(/C)C)C)C)/CC/C(=C/CC/C(=C/CO)C)C	B	0.962000012
SN00246020	c1(C(=O)/C=C(\C)C)cc(oc1)C	B	0.970000029
SN00246135	c12c(n(c(=O)c(c1OC)OC)C)cccc2	B	0.973999977

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