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
SN00169022	CC(=O)O[C@@H]1C[C@]2([C@H](O2)CC[C@@]2([C@H](O2)[C@@H]2[C@@H]1C(=C)C(=O)O2)C)C	B	0.958000004
SN00169023	CC(=O)O[C@@H]1C[C@@]2([C@H](O2)CC[C@]2([C@H](O2)[C@@H]2[C@@H]1C(=C)C(=O)O2)C)C	B	0.958000004
SN00169024	CC(=O)O[C@@H]1C[C@]2([C@H](O2)CC[C@]2([C@H](O2)[C@@H]2[C@@H]1C(=C)C(=O)O2)C)C	B	0.958000004
SN00169032	CCCCCCCCC[C@@H](C)OC(=O)C	B	0.986000001
SN00170361	C[C@]1(C(=C)[C@H]2CC[C@@]1([C@@H]2O)C=O)C	B	0.952000022
SN00172002	C[C@@H](C)Cc1cc(ccc1O)c1c(c(=O)c2c(cc(cc2o1)O)O)O	B	0.976000011
SN00177316	COc1c(cc2c(c1OCCCO)c(=O)cc(o2)c1ccc(cc1)O)O	B	0.95599997
SN00177437	C[C@@]12CC[C@H]3[C@]([C@@]41[C@@H](O4)C(=O)O[C@H]2c1ccoc1)(C(=O)C[C@H]1[C@]23COC(=C)C[C@@H]2O[C@]1(C)C)C	B	0.952000022
SN00177979	c1cc(c(cc1c1cc(=O)c2c(cc(cc2o1)OO)O)O)O	B	0.959999979
SN00178133	CCCCCCOC(=O)CCCCCCOCCCCCCC(=O)OCCCCCC	B	0.99000001
SN00213008	C1(=O)c2c3c(ccc2)cccc3C1=O	B	0.977999985
SN00213023	C1(=O)CC(=O)NC(=O)N1	B	0.981999993
SN00213062	C(CCCC)CCCN	B	0.962000012
SN00213064	c1(ccccc1)C(=N)N	B	0.981999993
SN00213127	c1(NOC(=O)C)ccccc1	B	0.953999996
SN00213255	c1cccc(c1)C(/C(=N/C)C)O	B	0.966000021
SN00213354	C[SeH]	B	0.966000021
SN00213409	c12c(nc(c(c1)C)O)cccc2	B	0.953999996
SN00213488	C(C(OP(=O)(C)F)C)(C)(C)C	B	0.963999987
SN00213492	C1(C(=O)NC(=S)NC1=O)(C(CCC)C)CC	B	0.962000012
SN00213585	C1CC2(N(C(C1)CC2)C)O	B	0.952000022
SN00213611	c1(c(=O)n(c(nn1)C)N)c1ccccc1	B	0.952000022
SN00213729	c1(noc(c1)C)O	B	0.952000022
SN00213762	n1c(nc(cc1C)C)Nc1ccccc1	B	0.952000022
SN00213814	c1(c(c(c2c(c1)oc(cc2=O)c1ccccc1)O)C/C=C(/C)C)O	B	0.962000012

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