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
SN00282028	C([N@+](C)(C)C)C(=C)OC	B	0.963999987
SN00282101	C(C[C@H](CCCC)C)C[C@H](CCCCCCCCC)C	B	0.991999984
SN00282157	c1(cnc(cc1)C)CC	B	0.952000022
SN00282252	O[C@@H](CC)CCCCCCCCCCCCCC	B	0.994000018
SN00282349	[C@H]12[C@@H]3N(C[C@@H](C2)[C@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00282382	[C@H]1([C@H](C)C)OC(=O)CC1	B	0.972000003
SN00282688	c12c(cc(cc2)O)occc1=O	B	0.99000001
SN00282720	c12c(c(c(cc2O)O)OC)oc(cc1=O)c1ccc(cc1)OC	B	0.958000004
SN00283063	[C@]123[C@]([C@H](c4cocc4)OC(=O)[C@H]1O2)(C[C@@H](C[C@H]3C)O)C	B	0.953999996
SN00283120	O(CCOCCOCCOC)C	B	0.959999979
SN00283366	C1(=C(CC(=C)C1=O)C)C	B	0.973999977
SN00283386	C([C@@H](CCC)C)[C@H](CCCCCC)C	B	0.970000029
SN00283497	[C@@H]1(C[C@@H](CC1)C)CC	B	0.966000021
SN00283533	C(=O)(OCC)CCCC[C@@H](C)C	B	0.991999984
SN00283848	c1(c2c(cc(c(c2)OC)OC)OC)cc(=O)c2c(o1)cc(cc2)OC	B	0.962000012
SN00283892	[C@H](CCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00283911	C(=O)(CBr)C	B	0.953999996
SN00283989	c12c(c(c(c3c1OCO3)OC)OC)c(=O)c1c(n2C)cccc1	B	0.962000012
SN00283991	N(CCCCCCC)C	B	0.966000021
SN00284245	c12c3c(oc(=O)c1ccc(c2)O)cc(cc3)O	B	0.952000022
SN00284417	C(=O)(OC/C=C(\CC/C=C(/C)C)C)CC	B	0.998000026
SN00284674	c12c(c(ccc(c2)[C@@H](C)C)C)ccc1C=O	B	0.952000022
SN00284701	[C@@H]1(N(CCCN1C)C)CCCCCCCCCCN(CCCCCC)CCCCC	B	0.958000004
SN00284731	[C@@H](CCCC(=O)C)(CCCCCCCCCCCC)C	B	0.980000019
SN00284784	[C@@H]1([C@@H](C[C@H]2CC(=O)NC(=O)C2)O)C(=O)[C@@H](C[C@@H](C1)C)C	B	0.958000004

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