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
SN00156696	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)OC)OC	B	0.958000004
SN00156705	Cc1c(c2c(=O)cc(oc2c(c1OC)C)c1ccc(cc1)OC)O	B	0.973999977
SN00156711	CCCCCC[C@@H](C=C)O	B	0.967999995
SN00156721	COc1ccc(cc1)c1cc(=O)c2c(cc(c(c2o1)OC)OC)OC	B	0.970000029
SN00156722	CCc1ccc(c(c1)C)CC	B	0.959999979
SN00156733	Cc1cc(=O)c2c(cc(c(c2o1)C)O)O	B	0.972000003
SN00156754	Cc1cc2c(cccn2)c(c1O)C	B	0.973999977
SN00156787	C1CCCCCCCC(=O)CCCCCC1	B	0.967999995
SN00156796	c1ccc2c(c1)c1ccccc1o2	B	0.966000021
SN00156797	C[C@@H]1CCC(=O)CC1	B	0.95599997
SN00156804	c1cc(ccc1/C=C\C(=O)c1ccc(cc1O)O)O	B	0.986000001
SN00156810	C/C(=C\Cc1c(c(c2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)O)C/C=C(\C)C)O)C	B	0.963999987
SN00156813	c1cc(c(cc1/C=C\C(=O)c1ccc(cc1O)O)O)O	B	0.994000018
SN00156916	CSSSC	B	0.986000001
SN00157048	C[C@H]1C[C@@H]2[C@H](C[C@]3([C@H]1CCC3=O)C)C(=C)C(=O)O2	B	0.952000022
SN00157075	CC1=CCC[C@@]2([C@H](O2)[C@@H]2[C@@H]([C@@H](C1)OC(=O)C)C(=C)C(=O)O2)C	B	0.953999996
SN00157092	C[C@@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C	B	0.981999993
SN00157098	CC(=O)O[C@@H]1C[C@@]2([C@H](O2)CC[C@@]2([C@H](O2)[C@@H]2[C@@H]1C(=C)C(=O)O2)C)C	B	0.958000004
SN00157105	C=C[C@]12C[C@@H]([C@@H]3[C@@H]([C@H]1C(=C)C(=O)OC2)OC(=O)C3=C)O	B	0.966000021
SN00157144	C[C@H]1CC[C@H]2[C@@H]1COC(=O)[C@H]2C	B	0.967999995
SN00157293	CCc1cnccn1	B	0.966000021
SN00157304	C[C@H]1CC[C@H]2[C@@H]1COC(=O)[C@@H]2C	B	0.967999995
SN00157314	C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C)[C@H](C)C	B	0.973999977
SN00157321	C/C(=C\CC/C(=C\COC(=O)C)C)C	B	0.99000001
SN00157353	CCC=S=O	B	0.977999985

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