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
SN00295267	NC	B	0.966000021
SN00295403	[C@]12([C@@H](CC[C@@H]1C)[C@H](C)C)C[C@H](C(=C)C=C2)O	B	0.953999996
SN00295527	[Si@@](CC)(CC)(CC)Cl	B	0.973999977
SN00295563	[C@@H]12[C@H]3N(C[C@H](C2)[C@@H]2N(C1)C(=O)CCC2)CCCC3	B	0.95599997
SN00295627	[C@]1(C/C(=C\C[C@H]2CC(=O)NC(=O)C2)C(=O)[C@@H](C1)C)(O)C	B	0.962000012
SN00296007	[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC	B	0.95599997
SN00296131	C(CCCCCCCCCCC)C/C=C\CCCCCCCC	B	0.970000029
SN00296174	C(=O)(OCC)CCCCCCCCCCCCCCC(=O)OCC	B	0.987999976
SN00296175	[C@]12([C@]([C@@H]3[C@@H]([C@H](C2)O)[C@]2([C@@H](CC3)C[C@@H](CC2)O)C)(CC[C@H]1c1coc(=O)cc1)O)C	B	0.953999996
SN00296194	[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
SN00296251	[C@@]1([C@H]2[C@@H]1CC[C@@H](C1=CC(=O)C(=C)[C@H]21)C)(C)C	B	0.959999979
SN00296359	c1(c(cc(cc1OC)C(=O)C)OC)OC	B	0.963999987
SN00296438	[C@@H](OCC)(OCCCCCC)C	B	0.991999984
SN00296501	C(=O)(OCC/C=C/C=C\CC)C	B	0.952000022
SN00296508	[C@@]12([C@@H]([C@@]3([C@H](CC2)C(=O)O[C@H](C3)c2cocc2)C)[C@H]2OC(=O)[C@@]1(C=C2)O)C	B	0.963999987
SN00296541	[C@]12([C@@]3([C@H]([C@@H]1NC(=O)NC2=O)NC(=O)NC3=O)C)C	B	0.952000022
SN00296558	c1(c(c(=O)c2c(o1)cc(cc2O)O)CC[C@@H](C)C)c1cc(c(c(c1)O)O)O	B	0.958000004
SN00296784	c12c(cc(c(=O)o1)C)ccc(c2)O	B	0.980000019
SN00296811	C(=C\Cl)/CCl	B	0.95599997
SN00296817	C([C@H](CCCCCCCCCCCCCCCCCCCCCCCCCC)C)[C@@H](CCCCCCCCCCCCCC)C	B	0.986000001
SN00296854	O=C(CC[C@H](CC)C)CC	B	0.95599997
SN00296881	c12c(cncc1C)ccnc2	B	0.973999977
SN00296978	c12c(=O)cc(oc1cc(cc2O)O)c1cc(c(c(c1)O)OC)O	B	0.95599997
SN00297097	c1(C(=O)OCC/C=C\CC)ccccc1	B	0.986000001
SN00297146	C(=O)(C[C@H](CC)C)Cl	B	0.963999987

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