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
SN00000532	COc1ccc(cc1)c1coc2cc(c(cc2c1=O)OC)OC	B	0.963999987
SN00000529	COc1ccc(cc1)c1coc2cc(ccc2c1=O)OC	B	0.99000001
SN00000526	CCN(Cc1ccncc1)C(=O)[C@H](CO)c1ccccc1	B	0.952000022
SN00000525	CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1	B	0.952000022
SN00000503	CCn1cc(c(=O)c2c1nc(nc2)N1CCCC1)C(=O)[O-]	B	0.963999987
SN00000498	CCn1cc(c(=O)c2c1nc(cc2)C)C(=O)[O-]	B	0.980000019
SN00000497	Cc1c(c(=O)n(n1C)c1ccccc1)NC(=O)c1cccnc1	B	0.952000022
SN00000490	Cc1c(c(=O)n(n1C)c1ccccc1)N[C@@H](C)C	B	0.976000011
SN00000488	C[C@H](Cn1cnc2c1c(=O)n(c(=O)n2C)C)O	B	0.99000001
SN00000487	C[C@@H](Cn1cnc2c1c(=O)n(c(=O)n2C)C)O	B	0.99000001
SN00000468	Cn1c2c(c(=O)n(c1=O)C)n(cn2)C[C@H](CO)O	B	0.952000022
SN00000467	Cn1c2c(c(=O)n(c1=O)C)n(cn2)C[C@@H](CO)O	B	0.952000022
SN00000466	Cc1c(c(=O)n(n1C)c1ccccc1)N(C)C	B	0.959999979
SN00000421	C[C@H](C)[NH2+]C[C@@H](COc1cccc2c1cccc2)O	B	0.952000022
SN00000408	C[C@](C)(c1ccc(cc1)O)c1ccc(cc1)O	B	0.958000004
SN00000395	Cc1c(sc[n+]1Cc1cnc(nc1N)C)CCO	B	0.959999979
SN00000378	c1ccc2c(c1)c(=O)c(c(o2)c1ccc(c(c1)O)O)O	B	0.958000004
SN00000375	c1cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O	B	0.967999995
SN00000373	COc1ccc2c(=O)cc(oc2c1)c1ccc(cc1)O	B	0.980000019
SN00000372	COc1ccc2c(c1)c(=O)cc(o2)c1ccc(cc1)O	B	0.962000012
SN00000366	c1ccc2c(c1)ccc1c2c(=O)cc(o1)c1ccc(cc1)O	B	0.95599997
SN00000365	c1ccc2c(c1)ccc1c2oc(cc1=O)c1ccc(cc1)O	B	0.970000029
SN00000359	c1ccc2c(c1)c(=O)c(c(o2)c1cccc(c1)O)O	B	0.966000021
SN00000358	COc1cc2c(=O)cc(oc2cc1OC)c1ccccc1	B	0.986000001
SN00000354	c1ccc2c(c1)c(=O)cc(o2)c1ccc(cc1O)O	B	0.976000011

Page 161 of 163