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
SN00125153	CCOc1c(nc(o1)C(=O)OCC)C	B	0.959999979
SN00125249	c1c2c(cc3c1c(=O)[nH][nH]c3=O)CCC2	B	0.952000022
SN00125318	Cc1cc2cc3ccccc3cc2cc(c1=O)C	B	0.959999979
SN00125344	CO[P@@H](C(=O)c1ccccc1)OC	B	0.959999979
SN00125351	C1=CC=c2c3=c4c(=CC=CC=c4c2=O)c(=O)c3=C1	B	0.981999993
SN00125369	Cc1cc(c(c(c1C)C)C)C(=O)OC	B	0.970000029
SN00125646	CCn1c2ccccc2c2c(c1=O)C(=NCCN2)C	B	0.95599997
SN00125691	Cc1ccc(c2c1C(=O)N(C2=O)C)C	B	0.972000003
SN00125700	CCOC(=O)n1c(c(c2c1cccc2)C)C	B	0.967999995
SN00125702	Cc1ccc(c(c1C)C)C=O	B	0.959999979
SN00125704	Cc1cc(c(c(c1OC)C)C)C=O	B	0.976000011
SN00125852	Cc1cc(c2c(c1C)CC2=O)C	B	0.966000021
SN00125857	Cc1cc2c(c(c1C)C)CC2=O	B	0.972000003
SN00125858	Cc1cc(c2c(c1C)C(=O)C2)C	B	0.973999977
SN00125868	Cc1cc2c(c(c1OC)C)CC2=O	B	0.952000022
SN00125873	Cc1c(c(c2c(c1OC)CC2=O)OC)C	B	0.958000004
SN00125881	Cc1c2c(c(c3c1C(=O)C3)C)C(=O)C2	B	0.953999996
SN00125883	Cc1c2c(c(c3c1CC3=O)C)C(=O)C2	B	0.952000022
SN00125943	C[C@@]1(C(=O)N[C@@]1(c1ccccc1)c1ccccc1)C	B	0.953999996
SN00126019	Cc1c(c(c2c(c1C)CCC2=O)C)C	B	0.952000022
SN00126021	Cc1c(c(c(c(c1Br)Br)OC)OC)Br	B	0.970000029
SN00126022	CC1=C(C(=O)O[C@@H]1O)C	B	0.959999979
SN00126023	CC1=C(C(=O)O[C@H]1O)C	B	0.959999979
SN00126239	Cc1cc(n(n1)[C@@H](C)C)C	B	0.963999987
SN00126252	CC#C[C@@](C)([C@@H](C)C)OC(=O)C	B	0.952000022

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