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
SN00358030	n1nc2c(c(c1)C)cccc2	B	0.952000022
SN00358191	c1(c2ccccc2)ccncc1	B	0.973999977
SN00358203	[C@@H]12[C@@H]3[C@H](C(=C)C(=O)O3)CCC(=C)[C@@H]1CC(=O)[C@H]2C	B	0.966000021
SN00358288	C(=C\CCCCCCCCCCCCC/C=C\CCCCCCCC)\C=C	B	0.959999979
SN00358318	c12c([C@H](CC[C@H]3[C@H](CN(CC3)C)C=C)O)ccnc1ccc(c2)OC	B	0.959999979
SN00358365	c12c(c(c(c(c1OC)OC)OC)OC)oc(cc2=O)c1c(c(c(c(c1)OC)OC)O)OC	B	0.953999996
SN00358410	C(=C(\CC/C=C(/CC/C=C(\C)C)C)C)/C=C	B	0.970000029
SN00358601	C(CCCCCCCCCCC=O)CCCC/C=C\CCCCCC	B	0.962000012
SN00358735	[C@@H](CCC[C@@H](CC)C)(CCCCCCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00358796	[C@@H](C[C@@H](CCCCC)O)(CCCCCCCCCCCCCCCCCCC)O	B	0.952000022
SN00358834	N1[C@@H](CCC[C@@H]1CCCCCCCCCCCCCCC)C	B	0.973999977
SN00358954	c12c(c(c(cc1OC)OC)OC/C=C(\C)C)occc2=O	B	0.967999995
SN00359108	C(=C\CCCCCCCC=O)/CC	B	0.952000022
SN00359152	C(=C\C(=O)C)/C[C@H](C)C	B	0.967999995
SN00359207	[C@@]([C@@H](O)OCC)(Cl)(Cl)Cl	B	0.967999995
SN00359216	[C@@H](CCCCCCOC(=O)CCCCCCCCC)(CCCCCCCCCCC)O	B	0.981999993
SN00359309	[P@@](=O)(CC[N@@+](C)(C)C)([O-])O	B	0.963999987
SN00359330	C(=O)(OCCC)CC	B	0.995999992
SN00359580	C1(=CC=C(CC(=O)C[C@@H](CCC=C(CC1)C)C)C)[C@@H](C)C	B	0.952000022
SN00359777	c12c3cc(c(cc3ccc2cc(c(c1)OC)OC)OC)OC	B	0.963999987
SN00359982	C(CCCCCCCCCCCC=O)CCCCCCCCCCCC	B	0.970000029
SN00360022	[C@@H](CCC[C@@H](CCCCCCCCCCC)C)(CCCCCCCCCCCCCCCCCC)C	B	0.991999984
SN00360032	c1(ccccc1)CCCCCCCCCCCCCCCCCCCCCC	B	0.970000029
SN00360074	[C@H](CCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00360075	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)O	B	0.991999984

Page 134 of 163