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
SN00429768	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00429789	F[C@](F)(F)C(=O)[C@](F)(F)F	B	0.95599997
SN00429793	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00429927	O=C1C=Cc2c(cccc2)C1=O	B	0.953999996
SN00430113	CCCCCC/C=C/CCCCCC	B	0.967999995
SN00430117	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00430201	O[C@H]([C@H]1C[C@H]2CCN1C[C@@H]2C=C)c1c2ccccc2ncc1	B	0.967999995
SN00430284	C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	B	0.967999995
SN00430409	O.Cl.COc1cc2c(cc1)nccc2[C@H]([C@H]1N2C[C@@H]([C@H](C1)CC2)C=C)O	B	0.966000021
SN00430679	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	B	0.952000022
SN00430847	N.C[C@]1([C@H]2CC[C@@]3([C@@H]([C@@]2(C)CC[C@@H]1O[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H]([C@H](O2)C(=O)O)O)[C@@H](O)[C@@H]([C@H](O1)C(=O)O)O)C(=O)C=C1[C@@]3(C)CC[C@@]2([C@H]1C[C@](CC2)(C(=O)O)C)C)C)C	S	0.995999992
SN00431033	Cn1c(=O)[nH]c2c([nH]cn2)c1=O	B	0.958000004
SN00431144	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00431280	OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	S	1
SN00431309	O.OC[C@H]1[C@H](O)[C@@H](O)[C@H]([C@@H](O1)OC[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@H](O1)OC[C@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](O1)O[C@]1([C@@H](O)[C@H]([C@@H](O1)CO)O)CO)O)O)O	S	0.952000022
SN00431477	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	B	0.952000022
SN00431632	COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4C=C)c2c1	B	1
SN00431639	CC[C@@H]1CN2CCc3c(cc(OC)c(OC)c3)[C@H]2C[C@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12	B	0.981999993
SN00431651	CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2c1cc(OC)cc2	B	0.99000001
SN00431662	COc1c(OC)cc2c(c1)N1[C@H]3[C@@H]4[C@H](CC1=O)OCC=C1CN5CC[C@@]23[C@H]5C[C@@H]41	B	0.966000021
SN00431670	O[C@@H]([C@H]1C[C@H]2CCN1C[C@@H]2C=C)c1ccnc2c1cccc2	B	0.967999995
SN00431679	C[C@](C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(O)C[C@H]3O[C@@]43C(=O)O[C@@H]2[C@]14C	B	0.977999985
SN00431680	CC(=C)[C@H]1[C@@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@@]43C(=O)O[C@H]2[C@@]14C	B	0.984000027
SN00500080	c1cc(c(cc1C1C(Cc2c(cc(cc2O1)O)O)O)O)O	B	0.95599997
SN00500106	CC1CCC(C(C1)O)C(C)C	B	0.966000021

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