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
SN00047917	C[C@@H]1CCC=C2[C@@]1([C@@H]([C@H]1[C@@H](C2)OC(=O)C1=C)O)C	B	0.966000021
SN00048693	c1cc(c(cc1/C=C\1C(=O)c2ccc(cc2O1)O)O)O	B	0.95599997
SN00048874	C[C@]12CC[C@H]([C@]1(C)C)CC2=O	B	0.958000004
SN00048875	C[C@@]12CC[C@@H](C1)[C@@](C2=O)(C)C	B	0.991999984
SN00048876	C[C@]12CC[C@H](C1)[C@](C2=O)(C)C	B	0.991999984
SN00048951	Cc1c(c(=O)c2ccc(cc2o1)O)c1ccccc1	B	0.963999987
SN00049427	C[C@@H](C)CCN1C(=O)c2ccc(cc2C1=O)c1nc2cc(c(cc2c(=O)o1)OC)OC	B	0.953999996
SN00049440	COc1ccc(cc1)COc1ccc2c3ccc(cc3c(=O)oc2c1)OC	B	0.958000004
SN00049623	C[C@@]12CC[C@@H]([C@]1(C)C)CC2=C	B	0.95599997
SN00049624	C[C@]12CC[C@H]([C@]1(C)C)CC2=C	B	0.95599997
SN00050516	C/C(=C\CC/C(=C/C=O)C)C	B	0.981999993
SN00050517	C(CC[NH3+])CC[NH3+]	B	0.962000012
SN00050520	C1C(=O)NCC(=O)N1	B	0.984000027
SN00050522	C[C@H](CC/C=C(\C)C)CCO	B	0.966000021
SN00050525	C(CC[NH3+])C[NH3+]	B	0.963999987
SN00050646	CCCCCCCCCCCCCC=O	B	0.970000029
SN00050653	C[C@@H](CCC[C@H](C)C)CCCC(=O)C	B	0.966000021
SN00050678	CCCCO[P@](=S)(OCCCC)S	B	0.952000022
SN00050767	CCCC[NH+](C)[C@H](C)[C@@H](c1ccccc1)O	B	0.970000029
SN00050788	CCCCC[NH+](C)[C@H](C)[C@@H](c1ccccc1)O	B	0.967999995
SN00050945	c1ccc2c(c1)C(=O)C(=O)N2CO	B	0.972000003
SN00051092	C[C@@H](CC/C=C(\C)CC/C=C(\C)C)O	B	0.958000004
SN00051093	C[C@H](CC/C=C(\C)CC/C=C(\C)C)O	B	0.958000004
SN00051445	C[C@H](C)CN=C=S	B	0.966000021
SN00051702	c1ccc(cc1)CCN=C=S	B	0.966000021

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