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
SN00382364	C(#C)/C=C\CCCCCCCC/C=C\C#C	B	0.952000022
SN00383228	[C@@H](C[C@@H](CCCCC)O)(CCCCCCCCCCCCCCCCCCCCCCCC)O	B	0.952000022
SN00383274	n1noo1	B	0.952000022
SN00386873	C(=C\CCCCCCCCCCCC=O)\CC	B	0.952000022
SN00387399	c12c(c(c(c(c2)O)OC)O)c(=O)cc(o1)c1cc(c(c(c1)O)OC)O	B	0.952000022
SN00391510	[C@H]1(C(=O)[C@H](CC[C@H]1C)[C@H](C)C)[S@@](=O)(=O)[O-]	B	0.952000022
SN00391754	c12c(oc3c(c1=O)c(c(c(c3)O)C/C=C\CC)O)oc1c2ccc(c1)O	B	0.952000022
SN00392039	c1(OC(=O)C)ccccc1	B	0.952000022
SN00392737	N#CCOCC	B	0.952000022
SN00394012	c12c(cc3c(c1C)c(co3)C)C(=O)C=C[C@@H]2C	B	0.952000022
SN00394031	[C@]12([C@](CC[C@@H](C1)[C@@H](C)C)(CCC2)C)C(=O)C	B	0.952000022
SN00394772	C(=O)(OCC=C)C	B	0.952000022
SN00395107	C([C@H](CCCCCCCCCCCCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00397090	[C@]12([C@@H]([C@@H]3[C@H](CC2)[C@]2([C@H](C[C@H]3O)C[C@H](CC2)O)C)CC[C@H]1[C@H](CCC(=O)O)C)C	B	0.952000022
SN00397457	[C@@]12([C@H]([C@H](C[C@@H]3[C@H](C1)C(=C)C(=O)O3)C)CCOC2=O)C	B	0.952000022
SN00398010	C([C@H](CCCCCCCCCCCCCCCCC)O)[C@@H](CCCCC)O	B	0.952000022
SN00399335	[C@H]([C@@](C=C)(C)C)(OC(=O)C)/C=C(/C)C	B	0.952000022
SN00400106	[C@@H](/C=C(\Br)Br)(Br)Cl	B	0.952000022
SN00402781	[C@@H]12[C@@H]([C@@H]3[C@@H](C(=C)C[C@@H]2OC(=O)C1=C)CCC3=C)OC(=O)C	B	0.952000022
SN00403187	c1(cnccc1)CC	B	0.952000022
SN00403395	c12c(cc(cc1)OC(=O)C)oc(=O)cc2	B	0.952000022
SN00428295	[C@H]12CC(=O)CC[C@]1(C)[C@H]1CC(=O)[C@@]3(C)[C@@H](CC[C@@H]3[C@H]1C(=O)C2)[C@@H](C)CCC(=O)O	B	0.952000022
SN00430679	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	B	0.952000022
SN00431477	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	B	0.952000022
SN00500119	C/C(=C/CC/C(=C/CO)C)C	B	0.952000022

Page 162 of 163