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
SN00000572	COc1ccc(cc1)c1cc(=O)c2cc(ccc2o1)O	B	0.953999996
SN00000580	c1cc(c(cc1c1cc(=O)c2cc(ccc2o1)O)O)O	B	0.959999979
SN00000582	CCOc1ccc2ccc(=O)oc2c1	B	0.952000022
SN00000588	c1ccc2c(c1)c(=O)c(co2)C(=O)[O-]	B	0.986000001
SN00000590	c1ccc2c(c1)c(=O)c(co2)C=O	B	0.991999984
SN00000595	c1ccc2c(c1)c(=O)cc(o2)C(=O)[O-]	B	0.967999995
SN00000597	c1ccc2c(c1)c(=O)cco2	B	0.991999984
SN00000608	c1ccc2c(c1)c(=O)c(c(o2)c1ccc(cc1)O)O	B	0.984000027
SN00000610	c1cc(c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O)O	B	0.986000001
SN00000612	COc1cc2c(ccc(=O)o2)c(c1)OC	B	0.952000022
SN00000625	Cc1cc(cc2c1c(=O)cc(o2)c1ccccc1)O	B	0.976000011
SN00000647	c1cc2c(cc1Cl)occ(c2=O)C=O	B	0.963999987
SN00000679	c1cc(ccc1c1cc2ccc(cc2oc1=O)O)Br	B	0.963999987
SN00000697	c1cc(cc(c1)O)c1c(c(=O)c2ccc(cc2o1)O)O	B	0.952000022
SN00000711	COc1ccc2c(=O)cc(oc2c1)c1cc(c(c(c1)OC)OC)OC	B	0.977999985
SN00000736	COc1ccc2c(=O)cc(oc2c1)c1ccc(cc1OC)OC	B	0.958000004
SN00000737	c1ccc2c(c1)ccc1c2oc(cc1=O)c1cccc(c1)O	B	0.958000004
SN00000742	COc1ccc(cc1)c1c(c(=O)c2ccc(cc2o1)OC)O	B	0.970000029
SN00000766	COc1ccc(cc1)c1c(c(=O)c2cc(ccc2o1)OC)O	B	0.95599997
SN00000787	Cc1c2ccccc2oc(=O)c1c1ccc(cc1)Br	B	0.963999987
SN00000812	c1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)Br	B	0.952000022
SN00000821	Cc1c2ccc(cc2oc(=O)c1c1ccc(cc1)Br)O	B	0.963999987
SN00000837	c1ccc(cc1)c1cc2ccccc2oc1=O	B	0.959999979
SN00000894	Cc1c2ccccc2oc(=O)c1c1ccccc1	B	0.976000011
SN00000900	Cc1c2ccc(cc2oc(=O)c1c1ccc(cc1)OC)O	B	0.95599997

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