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
SN00085792	Cn1c2c(nc1OCCC[NH+](C)C)n(c(=O)n(c2=O)C)C	B	0.963999987
SN00085793	Cn1c2ccccc2c(cc1=O)C(=O)[O-]	B	0.973999977
SN00085851	Cn1c2ccccc2c(=O)c(c1[O-])O	B	0.980000019
SN00085894	C[C@H](CC/C=C(\C)C)N(C=O)[C@@H](C)CC/C=C(\C)C	B	0.963999987
SN00086605	CCCCCCn1c(=O)c2c(ncn2C[C@H](CO)O)n(c1=O)C	B	0.952000022
SN00086606	CCCCCCn1c(=O)c2c(ncn2C[C@@H](CO)O)n(c1=O)C	B	0.952000022
SN00090062	Cc1coc2c1cc1c(c(c(=O)oc1c2)CC(=O)NC[C@@H](C)O)C	B	0.95599997
SN00092901	C[C@H](C)/C=C/C(=O)C	B	0.977999985
SN00093024	Cn1c2ccccc2c(cc1=O)O	B	0.95599997
SN00093174	CC[C@@H]1[NH+]2C[C@@]3(CN1C[C@](C2)(C3=O)C)C	B	0.963999987
SN00093190	C[C@]12C[NH+]3C[C@](C1=O)(CN(C2)C3)C	B	0.952000022
SN00093346	CCC[C@@]12C[NH+]3C[C@@](C1=O)(CN(C2)[C@H]3[C@@H](C)C)C	B	0.958000004
SN00093482	CC[C@]12C[NH+]3C[C@](C1=O)(CN(C2)[C@@]13c2ccccc2N(C1=O)C)CC	B	0.953999996
SN00093564	CCC[C@@]12C[NH+]3C[C@@](C1=O)(CN(C2)[C@@]13c2ccccc2N(C1=O)C)CCC	B	0.953999996
SN00093712	CC[C@@]12[C@@H]([C@]3(C[NH+](C1)[C@@H](N(C3)C2)[C@H](C)C)CC)O	B	0.953999996
SN00093963	C[C@H](C)Cn1cc(c2c1cccc2C(=O)[O-])C=O	B	0.958000004
SN00095371	C[C@@H]1CN(C[C@H](O1)C)C[C@@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C	B	0.963999987
SN00095372	C[C@@H]1CN(C[C@@H](O1)C)C[C@@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C	B	0.963999987
SN00095390	c1cc(ccc1c1coc2cc(ccc2c1=O)O)N	B	0.980000019
SN00097265	CN1CCc2cc3c(c(c2[C@@H]1[C@@H]1Cc2cc(c(cc2C1=O)OC)OC)OC)OCO3	B	0.95599997
SN00097266	CN1CCc2cc3c(c(c2[C@H]1[C@@H]1Cc2cc(c(cc2C1=O)OC)OC)OC)OCO3	B	0.95599997
SN00097568	C/C(=C\Cn1cnc2cc(c(cc2c1=O)OC)OC)C	B	0.95599997
SN00097612	CC(=C)Cn1cnc2cc(c(cc2c1=O)OC)OC	B	0.976000011
SN00097860	Cn1cnc2cc(c(cc2c1=O)OC)OC	B	0.963999987
SN00097967	C[C@H](CCC[C@H](C)C)NC(=O)Cc1cnc(s1)n1cccc1	B	0.95599997

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