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
SN00230174	C(=C\CC[C@H](C=C)O)(/CC/C=C(/C)C)C	B	0.959999979
SN00230250	C(CCCCCCCCCCCO)CCCCCCCCCCCC	B	0.958000004
SN00230346	[C@H](O)(C)C	B	0.991999984
SN00230413	[C@H](SCC)(CCC)C	B	0.962000012
SN00230465	C(CC)CC	B	0.998000026
SN00230545	[C@H]([C@@H](C)C)(OCC)OCC	B	0.966000021
SN00230548	C(C(=O)OCC[N@+](C)(C)C)[C@H](OC(=O)C)CCCCCCCCCCCCC	B	0.962000012
SN00230676	C(=O)(OCC/C=C\CC)CCCCC	B	0.984000027
SN00230819	C(=C\[C@@H](C=C)C)/C[C@@](O)(C)C	B	0.966000021
SN00230875	C(=O)(CCCCCCC/C=C\CCCCCCCC)OCC	B	0.972000003
SN00230915	[C@H](CCCCC)(CCC)O	B	0.991999984
SN00230985	n1cc(C(=O)C)ccc1C	B	0.959999979
SN00231039	C([C@H](CCCCCCCCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00231102	c12c(oc(cc2=O)c2c(c(ccc2)OC)OC)cc(cc1OC)OC	B	0.958000004
SN00231160	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00231189	C(=O)OCCCCCCCC/C=C\CCCCCC	B	0.972000003
SN00231190	[NH3+][C@H](c1ccccc1)CC	B	0.953999996
SN00231218	C(=O)(CCCCCCCCCCCCCCC)OCCCCCCCCCCC	B	0.995999992
SN00231538	[S@H+](CCC[N@@+](C)(C)C)(C)C	B	0.973999977
SN00231573	C12=C(CC[C@@H]1[C@](CC[C@@H]1[C@@H]2OC(=O)[C@@H]1C)(O)C)C	B	0.966000021
SN00231623	c12c(C(=O)C(=O)N(C1=O)C)cc(c(c2)OC)OC	B	0.953999996
SN00231659	O([C@H](CCCCCC)C)C	B	0.981999993
SN00231737	C([C@H](CCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00231759	[C@@H]1(N[C@@H](CCC1)C)C[C@@H](O)C	B	0.977999985
SN00231854	[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC	B	0.986000001

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