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
SN00500267	CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC1C4(O1)C(=O)O3)O)C	B	0.984000027
SN00500265	CC12C3C4C(C(C1(CC1C2(O1)C(=O)O3)O)C(=O)O4)C(C)(C)O	B	0.977999985
SN00500225	C(C(C(C(C(CO)O)O)O)O)O	S	0.973999977
SN00500155	c1cc(ccc1/C=C/C(=O)c1ccc(cc1O)O)O	B	0.986000001
SN00500141	CC1CCC(C(C1)OC(=O)C)C(C)C	B	0.973999977
SN00500139	CCCCCCC(=O)C	B	0.987999976
SN00500136	C/C(=C/CC/C(=C/CC/C(=C/CO)C)C)C	B	0.966000021
SN00500119	C/C(=C/CC/C(=C/CO)C)C	B	0.952000022
SN00500107	CC1CCC(C(=O)C1)C(C)C	B	0.991999984
SN00500106	CC1CCC(C(C1)O)C(C)C	B	0.966000021
SN00500080	c1cc(c(cc1C1C(Cc2c(cc(cc2O1)O)O)O)O)O	B	0.95599997
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
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
SN00431670	O[C@@H]([C@H]1C[C@H]2CCN1C[C@@H]2C=C)c1ccnc2c1cccc2	B	0.967999995
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
SN00431651	CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2c1cc(OC)cc2	B	0.99000001
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
SN00431632	COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4C=C)c2c1	B	1
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
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
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
SN00431144	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC	B	1
SN00431033	Cn1c(=O)[nH]c2c([nH]cn2)c1=O	B	0.958000004
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
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

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