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
SN00132477	CN(C)c1ccccc1	B	0.962000012
SN00132489	CC[C@](C)(C#C[C@](C)(CC)O)O	B	0.95599997
SN00132522	C/C(=N\OCO/N=C(/C)c1ccccc1)c1ccccc1	B	0.966000021
SN00132529	C[C@@H](C)C[C@]1(C(=N)N(C(=NC1=O)[O-])C)C[C@@H](C)C	B	0.953999996
SN00132553	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C/N1CCCCC1)C2=O	B	0.977999985
SN00132613	Cn1c(cnc1SC)C(=O)OC	B	0.952000022
SN00132631	C[C@@]1(CC(=C(C(=O)C1)C=N)[O-])C	B	0.958000004
SN00132634	CCn1c2ccccc2c(=O)cc1[O-]	B	0.95599997
SN00132676	CC[C@@H](C)N([C@@H](C)CC)C(=O)c1ccccc1Cl	B	0.966000021
SN00132678	CCN(CC)C(=O)c1cc(on1)C	B	0.95599997
SN00132679	c1ccc(cc1)n1c(=O)ccc(n1)[O-]	B	0.966000021
SN00132702	C[N@@+](C)(C)[C@@H]([C@@H]([N@@+](C)(C)C)OC)OC	B	0.959999979
SN00132969	C[C@@]12CC[C@@H]([C@]1(C)C)/C(=C/[N@@+](C)(C)C)C2=O	B	0.973999977
SN00132970	C[C@]12CC[C@H]([C@@]1(C)C)/C(=C/[N@@+](C)(C)C)C2=O	B	0.973999977
SN00132978	CCN(CC)C(=O)/C=C\1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.95599997
SN00132983	CC/C=C\1[C@H]2CC[C@@](C1=O)([C@]2(C)C)C	B	0.972000003
SN00133021	C[C@@H]1CC[C@H](C(=C1C=O)[O-])[C@@H](C)C	B	0.972000003
SN00133022	C[C@@H]1CC[C@@H](C(=C1C=O)[O-])[C@@H](C)C	B	0.972000003
SN00133023	C[C@H]1CC[C@H](C(=C1C=O)[O-])[C@@H](C)C	B	0.972000003
SN00133083	C[C@@]12CC[C@@H]([C@]1(C)C)/C(=C/N1CCCCC1)C2=O	B	0.977999985
SN00133275	C/C(=C\C(=O)C)[C@](C)(C)C	B	0.952000022
SN00133462	C1[C@@H]2C=C[C@H]1C(=O)C2=O	B	0.959999979
SN00133520	C/C(=N\c1ccccc1)c1ccccc1	B	0.958000004
SN00133624	C[C@H](C)[C@H]1[C@](C=NN1C(=[NH+])[S-])(C)C	B	0.963999987
SN00133626	C[C@@H](C)[C@@H]1[C@@](C=NN1C(=[NH+])[S-])(C)C	B	0.963999987

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