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
SN00000110	CC[N@+](C)(C)c1cccc(c1)O	B	0.952000022
SN00000124	Cc1c(cccc1Nc1c(cccn1)C(=O)[O-])[C@](F)(F)F	B	0.952000022
SN00000161	c1cc(ccc1O)Cl	B	0.952000022
SN00000285	C[C@H](C)[NH2+]C[C@H](COc1cccc2c1cccc2)O	B	0.952000022
SN00000421	C[C@H](C)[NH2+]C[C@@H](COc1cccc2c1cccc2)O	B	0.952000022
SN00000467	Cn1c2c(c(=O)n(c1=O)C)n(cn2)C[C@@H](CO)O	B	0.952000022
SN00000468	Cn1c2c(c(=O)n(c1=O)C)n(cn2)C[C@H](CO)O	B	0.952000022
SN00000497	Cc1c(c(=O)n(n1C)c1ccccc1)NC(=O)c1cccnc1	B	0.952000022
SN00000525	CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1	B	0.952000022
SN00000526	CCN(Cc1ccncc1)C(=O)[C@H](CO)c1ccccc1	B	0.952000022
SN00000534	Cc1c(=O)c2cccc(c2oc1c1ccccc1)C(=O)[O-]	B	0.952000022
SN00000536	c1ccc(cc1)c1c(c(=O)c2cc(ccc2o1)O)O	B	0.952000022
SN00000582	CCOc1ccc2ccc(=O)oc2c1	B	0.952000022
SN00000612	COc1cc2c(ccc(=O)o2)c(c1)OC	B	0.952000022
SN00000697	c1cc(cc(c1)O)c1c(c(=O)c2ccc(cc2o1)O)O	B	0.952000022
SN00000812	c1ccc2c(c1)cc(c(=O)o2)c1ccc(cc1)Br	B	0.952000022
SN00001188	CC(=O)c1ccc(c(c1)Cl)F	B	0.952000022
SN00001505	c1c(cc(c(c1F)Br)F)F	B	0.952000022
SN00001966	c1cc(c(cc1Br)F)C=O	B	0.952000022
SN00002046	C/C(=C\CC/C(=C/CO)C)C	B	0.952000022
SN00002183	COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC	B	0.952000022
SN00003074	COc1c2c(ccc(=O)o2)cc2c1occ2	B	0.952000022
SN00003350	C[N@@+](C)(C)CCOC(=O)N	B	0.952000022
SN00003406	C[C@H](COc1ccccc1)[NH2+][C@H](C)[C@@H](c1ccc(cc1)O)O	B	0.952000022
SN00003422	Cc1c(c(=O)c2c(cc(c(c2o1)OC)OC)OC)c1ccccc1	B	0.952000022

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