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
SN00060384	C[C@H](C)[C@@H]1CC(=O)C=C2[C@@H]1CCCC2	B	0.952000022
SN00060891	C[C@@H](CC/C=C(\C)CC/C=C(\C)C)OC(=O)C	B	0.963999987
SN00060892	C[C@H](CC/C=C(\C)CC/C=C(\C)C)OC(=O)C	B	0.963999987
SN00061073	C[C@@H](CC/C=C(\C)C)CCN(CCC[NH+](C)C)C(=O)C	B	0.952000022
SN00061074	C[C@H](CC/C=C(\C)C)CCN(CCC[NH+](C)C)C(=O)C	B	0.952000022
SN00061121	C[C@@H](CC/C=C(\C)C)N(CCC[NH+](C)C)C(=O)C	B	0.95599997
SN00061122	C[C@H](CC/C=C(\C)C)N(CCC[NH+](C)C)C(=O)C	B	0.95599997
SN00063783	CC[C@@H](C)CCC[C@@](C)(C)O	B	0.973999977
SN00063907	C[C@@H](C)C[C@@H]1C(=O)NCC(=O)N1	B	0.970000029
SN00064356	C[C@@H]1CC[C@@H]([C@@H](C1)O)[C@@H](C)C	B	0.966000021
SN00064379	C1CCCCCC(=O)CCCCC1	B	0.967999995
SN00064389	CC(=O)[C@@]1(CCOC1=O)C	B	0.953999996
SN00064390	CC(=O)[C@]1(CCOC1=O)C	B	0.953999996
SN00064610	CCCCCc1ccccn1	B	0.963999987
SN00064742	CC[C@H](C)N=C=S	B	0.972000003
SN00064745	Cn1c2ccccc2cc(c1=O)C=O	B	0.970000029
SN00064746	C[C@@H](C)Cn1c2ccccc2cc(c1=O)C=O	B	0.959999979
SN00064748	Cn1c2ccccc2cc(c1=O)CO	B	0.970000029
SN00065198	CCOC(=O)CCCCCCCCCCCc1ccccn1	B	0.953999996
SN00066287	Cc1ccn(c2nc3ccccc3c12)C	B	0.958000004
SN00067014	C[C@H](CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)C)O	B	0.962000012
SN00067083	C1CCCCC(=O)CCCCCCCCC(=O)CCC1	B	0.95599997
SN00067321	C[C@@H](C)C[C@H]1C(=O)N[C@H](C(=O)N1)Cc1ccccc1	B	0.952000022
SN00067360	C1CCCC(=O)OCCOC(=O)CCC1	B	0.963999987
SN00067661	C[C@H](C)[C@H]1CC(=O)C=C2[C@@H]1CCCC2	B	0.952000022

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