Canonicalized SMILES
stringlengths 1
839
| Canonicalized Taste
stringclasses 5
values | Original Labels
stringlengths 4
212
| Source
stringclasses 6
values | standardised_smiles
stringlengths 1
839
|
|---|---|---|---|---|
c1ccc(COCc2ccccc2)cc1 | sweet | chocolate, rose, earthy, mushroom, sweet, fruity, cherry, almond, plastic | flavor_db | c1ccc(COCc2ccccc2)cc1 |
CCc1nccnc1OC | undefined | raw, potato, pepper, earthy, bell, nutty | flavor_db | CCc1nccnc1OC |
OCC1OC(OC2OC(O)(C(O)O)C(O)(OO)C(O)(OO)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(OC2OC(O)(C(O)O)C(O)(OO)C(O)(OO)C2O)C(O)C(O)C1O |
Nc1nnn[nH]1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Nc1nnn[nH]1 |
COC1OC(CO)C(O)C(F)C1OC1OC(C)C(O)C(O)C1O | sweet | sweet | flavor_db | COC1OC(CO)C(O)C(F)C1OC1OC(C)C(O)C(O)C1O |
C=CCOC(=O)C(CC)CC | undefined | peach-pit, nut, ethereal, oily, fruit, cherry-pit | flavor_db | C=CCOC(=O)C(CC)CC |
CCCC(=O)OCc1ccccc1 | sweet | sweet | phytocompounds_db | CCCC(=O)OCc1ccccc1 |
O=c1cnc2[nH]cnc(=O)c2[nH]1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=c1cnc2[nH]cnc(=O)c2[nH]1 |
CC1(C)SC(C)(C)SC(C)(C)S1 | undefined | burnt, sulfurous, earthy, blackberry, green | flavor_db | CC1(C)SC(C)(C)SC(C)(C)S1 |
CCC=CCC=CCCO | sweet | honeydew, green, waxy, oily, sweet, melon, cucumber | flavor_db | CCC=CCC=CCCO |
CC1C(=O)CC2(C(C)C)CC12 | bitter | Bitter, Bitterness | chemtastes_db | CC1C(=O)CC2(C(C)C)CC12 |
CCCCCOC1C(O)C(O)OC(CO)C1O | sweet | sweet | flavor_db | CCCCCOC1C(O)C(O)OC(CO)C1O |
CCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(C)C(NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)C(NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(C)CC(NC(=O)C(N)CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(NC(=O)C(N)CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O |
CCC(C)C(N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 | sweet | sweet-like | flavor_db | CC1(CO)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | bitter | Ligand to Tas2 Receptor | tas2r_agonists | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 |
C=C=CC(C)C(=O)OCC | sweet | tutti frutti, strawberry, sweet, rum, tropical, fruity, green | flavor_db | C=C=CC(C)C(=O)OCC |
Nc1nc(N)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1 | sweet | sweet-like | flavor_db | Nc1nc(N)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1 |
O=C1CC2(CO)C(CCC34CC(CCC32)C(O)(COC2OC(CO)C(O)C(O)C2O)C4)c2ccoc21 | bitter | bitter | phytocompounds_db | O=C1CC2(CO)C(CCC34CC(CCC32)C(O)(COC2OC(CO)C(O)C(O)C2O)C4)c2ccoc21 |
OCCc1c[nH]c2ccccc12 | undefined | Bitter/Astringent, Multitaste | chemtastes_db | OCCc1c[nH]c2ccccc12 |
CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(O)C1O |
CCCCCC=CC=CC=O | undefined | seaweed | flavor_db | CCCCCC=CC=CC=O |
COC1OC2COC3(OC(C)C(O)C(O)C3O)OC2C(O)C1O | sweet | sweet | flavor_db | COC1OC2COC3(OC(C)C(O)C(O)C3O)OC2C(O)C1O |
CC(C)C(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(C)C(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O |
NC(CC(=O)O)C(=O)NCCOc1ccccc1 | sweet | Sweet, Sweetness | chemtastes_db | NC(CC(=O)O)C(=O)NCCOc1ccccc1 |
CC(C)CC(N)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(N)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
COc1ccccc1C(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | COc1ccccc1C(=O)O |
CCCCCCCC(=O)OCc1ccco1 | sweet | peach, waxy, sweet, fruity, metallic | flavor_db | CCCCCCCC(=O)OCc1ccco1 |
O=C(O)c1ccccc1C(=O)c1ccc(O)c(O)c1 | sweet | Sweet, Sweetness | chemtastes_db | O=C(O)c1ccccc1C(=O)c1ccc(O)c(O)c1 |
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C | bitter | Bitter, Bitterness | chemtastes_db | CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C |
COC1OC(CO)C(O)C(OC)C1OC | sweet | sweet | flavor_db | COC1OC(CO)C(O)C(OC)C1OC |
COCC1(OC2OC(CO)C(OC)C(OC)C2OC)OC(CO)C(OC)C1OC | sweet | sweet | flavor_db | COCC1(OC2OC(CO)C(OC)C(OC)C2OC)OC(CO)C(OC)C1OC |
CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(O)(CC=C(C)C)C1=O | bitter | Bitter, Bitterness | chemtastes_db | CCC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(O)(CC=C(C)C)C1=O |
CCCc1ccccn1 | undefined | tobacco, roasted, fatty, nutty, green | flavor_db | CCCc1ccccn1 |
O=CC(O)C(O)C(O)(F)C(O)CO | sweet | sweet-like | flavor_db | O=CC(O)C(O)C(O)(F)C(O)CO |
CCOc1nc(N)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1 | sweet | sweet-like | flavor_db | CCOc1nc(N)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2n1 |
CC(C)(C)OC(=O)C(NC(=O)C(N)CC(=O)O)c1ccccc1 | sweet | sweet | flavor_db | CC(C)(C)OC(=O)C(NC(=O)C(N)CC(=O)O)c1ccccc1 |
COOC1OC(CO)C(O)C(O)C1O | sweet | sweet | flavor_db | COOC1OC(CO)C(O)C(O)C1O |
CCCCCCCCCCCOC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 | sweet | sweet-like | flavor_db | CCCCCCCCCCCOC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 |
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COCC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O | sweet | sweet-like | flavor_db | COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COCC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1O |
CC(NC(=O)C(N)CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(N)CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O |
O=C(O)CCc1ccccc1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)CCc1ccccc1 |
CNC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O | sweet | sweet | flavor_db | CNC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O |
CCCCSCCCC | undefined | rose, herbal, violet-leaf, geranium, grassy, green | flavor_db | CCCCSCCCC |
CCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O | sweet | sweet-like | flavor_db | CCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
Cc1ccc(F)cc1 | bitter | Bitter, Bitterness | chemtastes_db | Cc1ccc(F)cc1 |
OCC1OC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O |
CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O | bitter | Bitter, Bitterness | chemtastes_db | CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O |
CC1OC(OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(C(=O)O)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)C(O)C2O)C(O)C(O)C1O |
CC(C)CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O |
O=C(O)C1CCCN1 | undefined | Neutral; Bitter, Miscellaneous | chemtastes_db | O=C(O)C1CCCN1 |
O=c1cc(-c2ccccc2)[nH]o1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=c1cc(-c2ccccc2)[nH]o1 |
CSCCC(N)C(=O)O | undefined | Sulphurous; Bitter/Sweet, Multitaste | chemtastes_db | CSCCC(N)C(=O)O |
CCCCOCC1OC(OC)C(O)C(O)C1OCCCC | sweet | sweet | flavor_db | CCCCOCC1OC(OC)C(O)C(O)C1OCCCC |
CCCCS(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CCCCS(=O)O |
COC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O | sweet | sweet-like | flavor_db | COC1OCC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
NC(CC(=O)O)C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | NC(CC(=O)O)C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O |
CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O |
COC(=O)C(Cc1ccccc1)NC(=O)C(C)N=C=O | sweet | sweet | flavor_db | COC(=O)C(Cc1ccccc1)NC(=O)C(C)N=C=O |
COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c(O)cc3o2)ccc1O | sweet | sweet-like | flavor_db | COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c(O)cc3o2)ccc1O |
O=c1c(-c2ccc(O)c(O)c2)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12 | sweet | sweet-like | flavor_db | O=c1c(-c2ccc(O)c(O)c2)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12 |
OCC1OC(OC2C(O)C(O)COC2(O)CO)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db | OCC1OC(OC2C(O)C(O)COC2(O)CO)C(O)C(O)C1O |
CC1OC(O)C(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C3O)C2O)C1O | sweet | sweet | flavor_db | CC1OC(O)C(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C3O)C2O)C1O |
NCCCCC(N)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | NCCCCC(N)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O |
CCCCCCCCCCOCC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1O | sweet | sweet | flavor_db | CCCCCCCCCCOCC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1O |
NS(=O)(=O)c1ccc(C(=O)O)cc1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | NS(=O)(=O)c1ccc(C(=O)O)cc1 |
COc1cc(-c2cc(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3o2)ccc1OC1OC(CO)C(O)C(O)C1O | sweet | sweet-like | flavor_db | COc1cc(-c2cc(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3o2)ccc1OC1OC(CO)C(O)C(O)C1O |
CC(C)CC(NC(=O)C(N)CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(NC(=O)C(N)CC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O |
CC=CSSCCC | undefined | onion, sulfurous, cooked | flavor_db | CC=CSSCCC |
Cc1ccc(C(C)C)c(O)c1 | undefined | herbal, thyme, camphor, medicinal, phenolic | flavor_db | Cc1ccc(C(C)C)c(O)c1 |
OCC1OC(OCC(O)C(O)C(O)O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | OCC1OC(OCC(O)C(O)C(O)O)C(O)C(O)C1O |
Nc1nc(F)nc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O | sweet | sweet-like | flavor_db | Nc1nc(F)nc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O |
CCCCCCCOCCS | undefined | sulfurous | flavor_db | CCCCCCCOCCS |
O=C(OCC1OC(O)C(O)(COC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(O)c(O)c1 | undefined | Astringent, Miscellaneous | chemtastes_db | O=C(OCC1OC(O)C(O)(COC(=O)c2cc(O)c(O)c(O)c2)C1O)c1cc(O)c(O)c(O)c1 |
CCOP(=O)(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)OCC | sweet | sweet-like | flavor_db | CCOP(=O)(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)OCC |
C=CCCC=O | undefined | roasted | flavor_db | C=CCCC=O |
CC=C(C)C(CCC(C)CCCC(C)CCCC(C)C)OC1C(CO)OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(OC)c(OC)c4)oc3c2)C(O)C1O | sweet | sweet-like | flavor_db | CC=C(C)C(CCC(C)CCCC(C)CCCC(C)C)OC1C(CO)OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(OC)c(OC)c4)oc3c2)C(O)C1O |
CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(=O)O)C(=O)O |
CC(N)(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(N)(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
OCC(O)C(O)C(O)(O)C(O)CO | sweet | sweet-like | flavor_db | OCC(O)C(O)C(O)(O)C(O)CO |
OCC1CC(OC2OC(CO)C(O)C(O)C2O)CCO1 | sweet | sweet | flavor_db | OCC1CC(OC2OC(CO)C(O)C(O)C2O)CCO1 |
CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)O |
CCCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)OC | sweet | sweet-like | flavor_db | CCCC(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)OC |
CNC(Cc1ccccc1)C(=O)NC(C)C(=O)OC | sweet | sweet | flavor_db | CNC(Cc1ccccc1)C(=O)NC(C)C(=O)OC |
Nc1ncnc2c1ncn2C1CC(OP(O)(O)=S)C(CO)O1 | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1CC(OP(O)(O)=S)C(CO)O1 |
COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O | sweet | sweet-like | flavor_db | COC(=O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
CCCCCCOC(C)OCCCCCC | sweet | ethereal, herbal, waxy, sweet, green | flavor_db | CCCCCCOC(C)OCCCCCC |
CC1OC(OCC2OC(Oc3cc(O)cc4oc(-c5ccc(O)c(O)c5)c(O)c(=O)c34)C(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OCC2OC(Oc3cc(O)cc4oc(-c5ccc(O)c(O)c5)c(O)c(=O)c34)C(O)C(O)C2O)C(O)C(O)C1O |
CC(C)(c1c(Cl)c(Cl)c(O)c(Cl)c1Cl)c1c(Cl)c(Cl)c(O)c(Cl)c1Cl | undefined | oily, butter, fatty | flavor_db | CC(C)(c1c(Cl)c(Cl)c(O)c(Cl)c1Cl)c1c(Cl)c(Cl)c(O)c(Cl)c1Cl |
CCCCCCCCCCCC(=O)Oc1ccc(C)cc1 | sweet | floral, nutty, sweet, vanilla | flavor_db | CCCCCCCCCCCC(=O)Oc1ccc(C)cc1 |
COC(=O)CC(NCCC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)OC | sweet | sweet-like | flavor_db | COC(=O)CC(NCCC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)OC |
Cc1c(O)[nH]c(=O)[nH]c1=O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cc1c(O)[nH]c(=O)[nH]c1=O |
Cn1c(=O)[nH]c2c(ncn2C)c1=O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cn1c(=O)[nH]c2c(ncn2C)c1=O |
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3C(=O)C=C3C5CC(C)(C(=O)OC)CCC5(C)CCC34C)C2(C)C)C(OC2OCC(O)(CO)C2O)C(O)C1O | sweet | sweet-like | flavor_db | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3C(=O)C=C3C5CC(C)(C(=O)OC)CCC5(C)CCC34C)C2(C)C)C(OC2OCC(O)(CO)C2O)C(O)C1O |
CC1=C2CC3OC(=O)CC4C(C)C(O)C5(OC6OC(CO)C(O)C(O)C6O)OCC34C5C2(C)C(O)C(O)C1 | bitter | bitter | phytocompounds_db | CC1=C2CC3OC(=O)CC4C(C)C(O)C5(OC6OC(CO)C(O)C(O)C6O)OCC34C5C2(C)C(O)C(O)C1 |
CCCCC(C)=O | undefined | ethereal, ether | flavor_db | CCCCC(C)=O |
Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O | sweet | sweet-like | flavor_db | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O |
CC(=O)c1c(O)cc(C)oc1=O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | CC(=O)c1c(O)cc(C)oc1=O |