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
SN00159279	Cc1ccc(c(c1C)C=O)C	B	0.981999993
SN00159280	C/C(=C\[C@H]([C@@](C)(C)C=C)OC(=O)C)C	B	0.952000022
SN00159290	C[N@@+](C)(C)[C@H](Cc1ccc(cc1)O)C(=O)[O-]	B	0.962000012
SN00159308	C[C@@H]1CC(=O)C=C2[C@]1([C@H]1[C@H]([C@]1(C)C)CC2)C	B	0.953999996
SN00159381	C/C(=C\Cc1cc2c(=O)cc(oc2cc1O)c1ccc(cc1)O)C	B	0.962000012
SN00159487	CC1=C2C(=O)[C@H](CC[C@]2(CCC1)C)[C@@H](C)C	B	0.970000029
SN00159490	Cc1cc2c(coc2c2c1CCC[C@H]2C)C	B	0.952000022
SN00159613	CCC[NH3+]	B	0.95599997
SN00159672	CCOC(=O)/C=C(\C)CC/C=C(\C)C	B	0.959999979
SN00159673	CCCCc1cc(ccc1C)O	B	0.952000022
SN00159936	C[C@@]12[C@H]3[C@@H]4[C@H]([C@H]([C@@]1(C[C@@H]1[C@]2(O1)C(=O)O3)O)C(=O)O4)[C@](C)(C)O	B	0.977999985
SN00159998	CCCCCCCCCCCCCCCCCCCCO	B	0.958000004
SN00160097	Cc1cc(=O)c2c(cc(cc2o1)O)C(=O)C	B	0.986000001
SN00160118	c1cc(c(c(c1)O)C=O)c1coc2cc(ccc2c1=O)O	B	0.963999987
SN00160212	CCOC(=O)CCCCCCCCCCCCCC[C@H](C)C	B	0.991999984
SN00160246	C[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@]1(CC[C@@H]2c1ccc(=O)oc1)O)C)O)O	B	0.953999996
SN00160282	CCC/C=C\COC(=O)c1ccccc1	B	0.981999993
SN00160514	C[C@H]1CC(=O)CC2=CC[C@@H]3[C@H]([C@]12C)[C@@]3(C)C	B	0.952000022
SN00160537	CCCCCC[C@@H](CC)OCC	B	0.99000001
SN00160677	CCCC/C=C\CCCCCCCCCCCC=O	B	0.962000012
SN00160687	c1cc2c(ccc(=O)o2)c2c1cco2	B	0.959999979
SN00160804	C[C@@H]1CC[C@@H]2CC3=C(CC[C@]13[C@@]2(C)C)C(=O)[O-]	B	0.952000022
SN00160847	CCCCCCCCCCCCCCCO	B	0.958000004
SN00160875	C[C@@]12CCC[C@@]3([C@@H]1CC[C@]14[C@H]3CC[C@H](C1)C(=C)[C@@H]4O)[C@@H]1N(C2)CCO1	B	0.953999996
SN00160892	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

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