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
SN00005790	c1cc(ccc1c1cc(=O)c2c(cc(cc2o1)O)O)O	B	0.998000026
SN00005791	c1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O	B	0.972000003
SN00005826	c1ccc(cc1)c1cc(=O)c2c(cc(cc2o1)O)O	B	0.991999984
SN00005833	C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O)C	B	0.958000004
SN00005834	C[C@@H]1C[C@H](C(=O)[C@@H](C1)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O)C	B	0.958000004
SN00005835	C[C@H]1C[C@H](C(=O)[C@@H](C1)[C@@H](C[C@H]1CC(=O)NC(=O)C1)O)C	B	0.958000004
SN00005881	C[C@@H](C)Oc1ccc2c(=O)cc(oc2c1)c1ccccc1	B	0.959999979
SN00005931	c1c(cc(c(c1O)O)O)c1c(c(=O)c2c(cc(cc2o1)O)O)O	B	0.991999984
SN00006004	CC(=O)C[C@@H](c1ccccc1)c1c(c2ccccc2oc1=O)[O-]	B	0.970000029
SN00006042	c1cc(c(cc1O)O)c1c(c(=O)c2c(cc(cc2o1)O)O)O	B	0.994000018
SN00006046	C[C@H]1[C@@H]2CC[C@]3(C=CC(=O)C(=C3[C@H]2OC1=O)C)C	B	0.981999993
SN00006100	C/C(=C\Cc1c(cc(c2c1oc(c(c2=O)O)c1ccc(c(c1)O)O)O)O)C	B	0.962000012
SN00006237	C[C@]12C[C@@H]([C@@H]3[C@@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC1=CC(=O)C=C[C@]31C)O	B	0.967999995
SN00006238	C[C@]12C[C@@H]([C@H]3[C@@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC1=CC(=O)C=C[C@]31C)O	B	0.967999995
SN00006239	C[C@]12C[C@@H]([C@@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC1=CC(=O)C=C[C@]31C)O	B	0.967999995
SN00006339	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](C[C@]2([C@@H]1CC[C@@]2(C(=O)CO)O)C)O	B	0.95599997
SN00006340	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]2[C@H](C[C@]2([C@@H]1CC[C@@]2(C(=O)CO)O)C)O	B	0.95599997
SN00006341	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2[C@H](C[C@]2([C@@H]1CC[C@@]2(C(=O)CO)O)C)O	B	0.95599997
SN00006342	C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](C[C@]2([C@@H]1CC[C@@]2(C(=O)CO)O)C)O	B	0.95599997
SN00006704	C[C@@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]1[C@]2(O1)C(=O)O3)O)C(=O)O4)[C@](C)(C)O	B	0.977999985
SN00006734	C=CCOc1ccc2ccc(=O)oc2c1	B	0.963999987
SN00006752	C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]1[C@@H]2OC(=O)C1=C)O	B	0.963999987
SN00006813	C[C@H]1[C@@H]2CC[C@@]3([C@]4(O3)CC=C([C@@H]4[C@H]2OC1=O)C)C	B	0.966000021
SN00006814	C[C@H]1[C@@H]2CC[C@@]3([C@]4(O3)CC=C([C@H]4[C@H]2OC1=O)C)C	B	0.966000021
SN00006875	C[C@@]12CC[C@H]3[C@]([C@]41[C@H](O4)C(=O)O[C@H]2c1ccoc1)(C(=O)C[C@@H]1[C@]23COC(=O)C[C@@H]2O[C@]1(C)C)C	B	0.976000011

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