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
SN00068086	c1ccc(c(c1)C=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	B	0.962000012
SN00068607	Cc1nc2ccccc2c(=O)n1CCCO	B	0.973999977
SN00069114	CCCCCCOc1ccc2c(c(c(=O)oc2c1)C)C	B	0.952000022
SN00071326	C[N@@+](C)(C)CCC(=O)c1ccc2c(c1)OCCO2	B	0.953999996
SN00072438	C[C@@H]1CCC=C2[C@@]1([C@@H]([C@@H]1[C@H](C2)OC(=O)C1=C)O)C	B	0.966000021
SN00072439	C[C@H]1CCC=C2[C@@]1([C@@H]([C@@H]1[C@H](C2)OC(=O)C1=C)O)C	B	0.966000021
SN00072440	C[C@@H]1CCC=C2[C@@]1([C@H]([C@@H]1[C@H](C2)OC(=O)C1=C)O)C	B	0.966000021
SN00072441	C[C@H]1CCC=C2[C@@]1([C@H]([C@@H]1[C@H](C2)OC(=O)C1=C)O)C	B	0.966000021
SN00072609	C1[C@H]2[C@H](COC2=O)OC1=O	B	0.952000022
SN00072728	C[C@H](C)[C@H]1C(=O)N(C(=O)N1)CCCc1ccccc1	B	0.962000012
SN00074389	Cn1c2ccoc2cc1C(=O)[O-]	B	0.958000004
SN00074611	c1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)O	B	0.963999987
SN00074771	C/C(=C\CCC1=CC[C@@](CC1)(C)C=O)C	B	0.967999995
SN00075014	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
SN00075015	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
SN00075016	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
SN00075017	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
SN00075200	C[n+]1ccccc1c1coc2cc(ccc2c1=O)O	B	0.958000004
SN00075206	Cc1c(c(=O)c2ccc(cc2o1)O)c1ccc2c(c1)OCCO2	B	0.958000004
SN00075225	c1cc(ccc1c1coc2cc(ccc2c1=O)O)Br	B	0.986000001
SN00075226	c1cc(ccc1c1coc2cc(ccc2c1=O)O)Cl	B	0.970000029
SN00075234	c1ccc2c(c1)c1c(cc(cc1oc2=O)O)O	B	0.976000011
SN00075253	C[C@@H](C)C[C@@H]1C(=O)N(C(=S)N1)C	B	0.962000012
SN00075254	C[C@@H](C)C[C@H]1C(=O)N(C(=S)N1)C	B	0.962000012
SN00075308	C[C@@H](C)Oc1ccc(cc1)c1coc2cc(ccc2c1=O)O	B	0.966000021

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