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
SN00133677	c1ccnc(c1)N	B	0.962000012
SN00133753	C1CNNC1=O	B	0.977999985
SN00133865	C[C@@]12CC[C@@H]([C@]1(C)C)C(=O)CC2=O	B	0.981999993
SN00133866	C[C@]12CC[C@H]([C@@]1(C)C)C(=O)CC2=O	B	0.981999993
SN00133879	c1ccc(cc1)N1CCC(=N1)N	B	0.959999979
SN00133981	c1ccc(cc1)N	B	0.973999977
SN00134177	c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2	B	0.953999996
SN00134308	CC[NH+](CC)CN(CC)CC	B	0.966000021
SN00134324	CC[NH+](CC)CCN(CC)CC	B	0.952000022
SN00134336	C[C@@H](C)CC[C@@]1(C(=N)N(C(=NC1=O)[O-])C)CC[C@H](C)C	B	0.952000022
SN00134342	CCCC[C@@]1(C(=N)N(C(=O)N(C1=O)C)C)CCCC	B	0.967999995
SN00134474	c1cc(ccc1O)[P@](=O)([O-])O	B	0.962000012
SN00134478	Cc1cc(cc(=O)o1)c1ccccc1	B	0.952000022
SN00134523	CC[C@@]1(C(=N)N(C(=NC1=O)[O-])C)CC	B	0.963999987
SN00134549	CCCC[C@@]1(C(=N)N(C(=NC1=O)[O-])C)CCCC	B	0.953999996
SN00134550	CCC[C@]1(C(=N)N(C(=O)N(C1=O)C)C)CCC	B	0.963999987
SN00134594	C(CBr)[P@](=O)([O-])O	B	0.95599997
SN00134661	c1ccc(cc1)/C(=C(/c1ccccc1)N)N	B	0.963999987
SN00134666	C[C@]12CC[C@H]([C@]1(C)C)[C@H](C2=O)C(=O)c1cccc2c1cccc2	B	0.958000004
SN00134667	CC(=O)[C@@H]1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.970000029
SN00134668	CC(=O)[C@H]1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.970000029
SN00134674	CC(=O)/C(=C\N)Cc1ccccc1	B	0.962000012
SN00134706	CCC(=O)/C(=C\NCc1ccccc1)C	B	0.959999979
SN00134802	c1cc(ccc1/N=N/c1c(nn2c1nc([O-])cc2[C@](F)(F)F)N)[S@@](=O)(=O)[O-]	B	0.952000022
SN00134831	C[C@@H](C)C[C@@]1(C(=O)N(C(=N1)c1ccccc1)C)C	B	0.952000022

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