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
SN00303095	C(=O)(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)OCCCCC	B	0.995999992
SN00303184	C1(=C(C(=O)O[C@@H]1C)C)C	B	0.99000001
SN00303404	n12c(CCNC1=O)cnc2	B	0.972000003
SN00303424	[C@]1(O[C@@](CC(=O)C1)(C)C)([C@H]1CC=C(CC1)C)C	B	0.959999979
SN00303639	C(=O)(OCCCCC/C=C/CCC/C=C\CCCC)C	B	0.963999987
SN00303663	[C@H](CCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00303755	c12c(oc(=O)cc1/C=C/c1ccc(cc1)O)cc(cc2O)O	B	0.95599997
SN00303768	C(=C\[C@@H](CC)C)(/C(=O)C)C	B	0.962000012
SN00303797	[C@@](C/C=C\[C@H](C=C)C)(O)(C)C	B	0.966000021
SN00303951	c12c(=O)cc(oc2cc(c(c1O)O)O)c1cc(c(cc1)O)C	B	0.980000019
SN00304046	[C@]12([C@H]([C@H](C[C@H]3[C@H](C1)C(=C)C(=O)O3)C)CCC2=O)C	B	0.952000022
SN00304056	[C@@H](CCCCC[C@@H](CCCCCCCCCCCC)C)(CCCCCCCCCCCCCCCC)C	B	0.991999984
SN00304064	[C@@]123[C@H]4[C@@]5([C@@H](C(=C)[C@@H](C5)CC4)O)CC[C@@H]1[C@@](CN1[C@@H]2OCC1)(CCC3)C	B	0.953999996
SN00304072	[C@@H](C[C@@H](CCCCC)O)(CCCCCCCCCCCCCCCCCCCCCCC)O	B	0.952000022
SN00304083	[C@@H](CCCCCCCCCCCCCCCCCCCCC(=O)C)(CCCCCCC)O	B	0.977999985
SN00304122	N1([C@H]2C[C@@H]([C@@H]1C[C@H](C2)OC(=O)C)O)C	B	0.952000022
SN00304179	[C@H](CCCC(=C)C)(C=C)C	B	0.966000021
SN00304238	c12c(nc(cc1)CCC)cccc2	B	0.967999995
SN00304241	[C@]12([C@](C[C@@H](CC2)[C@H](C)C)(CCCC1=O)C)C	B	0.952000022
SN00304369	C(=O)(CC)C	B	0.995999992
SN00304471	c1(=O)c2c(cc(cc2)OC/C=C(\C)C)occ1c1ccc(cc1)OC	B	0.970000029
SN00304541	N1[C@@H](C[C@@H](C[C@@H]1CCCCCCCCC)O)C	B	0.966000021
SN00304696	C([C@H](CCCCCCCCCCCCCCCCCCCC)C)[C@@H](CCCCCCCCCCCCCC)C	B	0.986000001
SN00304702	[C@@H]12[C@H]3C[C@@H](CN1C(=O)C[C@@H](C2)O)[C@H]1N(C3)CCCC1	B	0.95599997
SN00304715	[C@@H](OC(=O)C)(CCCCC)C	B	0.984000027

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