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
SN00051746	C[C@H](CCC[C@H](C)C)CCCC(=O)C	B	0.966000021
SN00051748	C/C(=C\CCC1=CC[C@](CC1)(C)C=O)C	B	0.967999995
SN00051749	CC[C@H](C)CCC[C@@](C)(C)O	B	0.973999977
SN00051794	C[C@H]1CCC(=O)[C@H](C1)[C@@](C)(C)[C@@H](C)C	B	0.952000022
SN00051795	C[C@@H]1CCC(=O)[C@H](C1)[C@](C)(C)[C@@H](C)C	B	0.952000022
SN00051796	C[C@H]1CCC(=O)[C@@H](C1)[C@@](C)(C)[C@@H](C)C	B	0.952000022
SN00051797	C[C@@H]1CCC(=O)[C@@H](C1)[C@@](C)(C)[C@@H](C)C	B	0.952000022
SN00051917	C[C@@H](CC/C=C(\C)C)[NH2+]CCC[NH+](C)C	B	0.970000029
SN00051918	C[C@H](CC/C=C(\C)C)[NH2+]CCC[NH+](C)C	B	0.970000029
SN00051932	C[C@@H](CC/C=C(\C)C)N(C=O)[C@@H](C)CC/C=C(\C)C	B	0.963999987
SN00051933	C[C@H](CC/C=C(\C)C)N(C=O)[C@H](C)CC/C=C(\C)C	B	0.963999987
SN00051968	C/C(=C\CC/C(=C/CCCOC(=O)C)C)C	B	0.977999985
SN00051985	C[C@@H](CN(CCc1ccccc1)[S@@](=O)(=O)O)O	B	0.959999979
SN00051986	C[C@H](CN(CCc1ccccc1)[S@@](=O)(=O)O)O	B	0.959999979
SN00054693	C/C(=C\CC/C(=C/C[C@@](C)(C)C=O)C)C	B	0.958000004
SN00054810	C[N@@+](C)(C)CCCCC(=O)c1ccc2c(c1)OCO2	B	0.952000022
SN00055497	C[C@@H](CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)C)O	B	0.962000012
SN00055539	C[C@@H](CCCCO)CCC[C@H](C)C	B	0.958000004
SN00055540	C[C@H](CCCCO)CCC[C@H](C)C	B	0.958000004
SN00057540	C[C@H](C)/C=C/C(=O)CC/C=C(\C)CC/C=C(\C)C	B	0.953999996
SN00057560	CC(=C)CN1c2ccccc2C(=O)C1=O	B	0.973999977
SN00057578	C[C@@H](C)CC(=O)OCCC/C=C(\C)CC/C=C(\C)C	B	0.973999977
SN00059181	C[C@@H](CC/C=C(\C)C)NC=O	B	0.981999993
SN00059182	C[C@H](CC/C=C(\C)C)NC=O	B	0.981999993
SN00060383	C[C@H](C)[C@H]1CC(=O)C=C2[C@H]1CCCC2	B	0.952000022

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