Canonicalized SMILES
stringlengths 1
839
| Canonicalized Taste
stringclasses 5
values | Original Labels
stringlengths 4
212
| Source
stringclasses 6
values | standardised_smiles
stringlengths 1
839
|
|---|---|---|---|---|
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O |
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)CCCN | sweet | sweet-like | flavor_db | COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)CCCN |
O=CC=Cc1ccco1 | undefined | vanilla, woody, fruity, cinnamon, nutty, grassy, spicy, green | flavor_db | O=CC=Cc1ccco1 |
NCCCCC(NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | NCCCCC(NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)O |
COCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | COCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O |
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(=O)OC)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O | sweet | sweet-like | flavor_db | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(=O)OC)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(OC2OCC(O)C(O)C2O)C1O |
CC1=CC(=O)CC(C)(C)C1 | sweet | cooling, tobacco, cedarwood, leather, musty, woody, sweet, fruity, camphoraceous, camphor, green | flavor_db | CC1=CC(=O)CC(C)(C)C1 |
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1 | sweet | sweet-like | flavor_db | CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1 |
OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
CC1OC(OC2CC(C)(C)CC3C4=CC(=O)C5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2CC(C)(C)CC3C4=CC(=O)C5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C)C(O)C(O)C1O |
CCCCOOC1C(O)OC(CO)C(O)C1OOCCCC | sweet | sweet | flavor_db | CCCCOOC1C(O)OC(CO)C(O)C1OOCCCC |
C=CCSSCCC | undefined | garlic, onion, alliaceous, green | flavor_db | C=CCSSCCC |
COC(=O)OCC1OC(O)C(O)C(O)C1O | sweet | sweet | flavor_db | COC(=O)OCC1OC(O)C(O)C(O)C1O |
NC(=O)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | NC(=O)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O |
O=S(=O)(O)OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | O=S(=O)(O)OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O |
Nc1cc([N+](=O)[O-])ccc1OCC(F)(F)C(F)F | sweet | sweet-like | flavor_db | Nc1cc([N+](=O)[O-])ccc1OCC(F)(F)C(F)F |
CC(=O)OC1CC(C)=C2C(=O)C=C(C)C2C2OC(=O)C(C)C12 | bitter | bitter | phytocompounds_db | CC(=O)OC1CC(C)=C2C(=O)C=C(C)C2C2OC(=O)C(C)C12 |
CC(C)CC(=O)OCCc1ccccc1 | undefined | Bitter/Sweet, Multitaste | chemtastes_db | CC(C)CC(=O)OCCc1ccccc1 |
COCCOC1OC(CO)C(O)C(O)C1O | sweet | sweet | flavor_db | COCCOC1OC(CO)C(O)C(O)C1O |
CC(C)CC(N)C(=O)O | sweet | Sweet, Sweetness | chemtastes_db | CC(C)CC(N)C(=O)O |
CCCCN=C=S | undefined | sulfur, citrus, wine_like, vegetable, sulfury, fatty, floral, earthy, woody, pungent, fruity, herbaceous, nutty, meaty, spicy, green | flavor_db | CCCCN=C=S |
CC(O)CCOC1OC(CO)C(O)C(O)C1O | sweet | sweet | flavor_db | CC(O)CCOC1OC(CO)C(O)C(O)C1O |
CC(C)CC(NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O |
NC(=O)CC(NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O | sweet | sweet | flavor_db | NC(=O)CC(NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(=O)O |
NCCCCC(NC(=O)C(N)CC(=O)O)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | NCCCCC(NC(=O)C(N)CC(=O)O)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)O |
C=C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C3 | sweet | sweet-like | flavor_db | C=C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C3 |
CC(NC(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(Cc1ccccc1)C(=O)O |
CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O |
CC(CO)OC(C)Oc1cc(O)cc(O)c1C(=O)CCc1ccc(O)c(O)c1 | sweet | sweet-like | flavor_db | CC(CO)OC(C)Oc1cc(O)cc(O)c1C(=O)CCc1ccc(O)c(O)c1 |
COc1ccc(CCc2ccccc2)cc1O | sweet | Sweet, Sweetness | chemtastes_db | COc1ccc(CCc2ccccc2)cc1O |
O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)cc1OC1OCC(O)C(O)C1O | sweet | sweet-like | flavor_db | O=C(CCc1ccc(O)c(O)c1)c1c(O)cc(O)cc1OC1OCC(O)C(O)C1O |
COc1c2occc2cc2ccc(=O)oc12 | bitter | Bitter, Bitterness | chemtastes_db | COc1c2occc2cc2ccc(=O)oc12 |
NC(CC(=O)O)C(=O)N(C(=O)C(N)CC(=O)O)C(Cc1ccccc1)C(=O)O | sweet | sweet-like | flavor_db | NC(CC(=O)O)C(=O)N(C(=O)C(N)CC(=O)O)C(Cc1ccccc1)C(=O)O |
N#Cc1ccc(NC(=O)NC(CC(=O)O)c2ccc(O)cc2)cc1 | sweet | Sweet, Sweetness | chemtastes_db | N#Cc1ccc(NC(=O)NC(CC(=O)O)c2ccc(O)cc2)cc1 |
CCC(C)C(N)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(N)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O |
CCCCc1ccco1 | sweet | mild, wine, sweet, fruity, spicy | flavor_db | CCCCc1ccco1 |
COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccc(O)cc1 | bitter | Bitter, Bitterness | chemtastes_db | COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)C=Cc1ccc(O)cc1 |
COc1ccc(-c2coc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)cc1O | sweet | sweet-like | flavor_db | COc1ccc(-c2coc3c(CC=C(C)C)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)cc1O |
COC(=O)CCCc1ccccc1 | sweet | floral, fruit, sweet | flavor_db | COC(=O)CCCc1ccccc1 |
CC(O)C(NC(=O)C(N)CC(=O)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(O)C(NC(=O)C(N)CC(=O)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O |
CC(C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O | bitter | bitter (insufficient evidence) | phytocompounds_db | CC(C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 | sweet | sweet-like | flavor_db | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1 |
Cc1ccc(C(C)O)cc1 | sweet | powdery, floral, sweet, hawthorn, nutty | flavor_db | Cc1ccc(C(C)O)cc1 |
CCCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1 | undefined | Tasteless, Tastelessness | chemtastes_db | CCCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1 |
CC1OC(OC2C(O)COC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(O)COC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O |
N=C(N)N | sweet | Sweet, Sweetness | chemtastes_db | N=C(N)N |
COc1ccc(C=CC(=O)c2ccc(O)c(OC3OC(COC(C)=O)C(O)C(O)C3O)c2O)cc1O | sweet | sweet-like | flavor_db | COc1ccc(C=CC(=O)c2ccc(O)c(OC3OC(COC(C)=O)C(O)C(O)C3O)c2O)cc1O |
CC(=O)OC1C(OC2OCC(O)C(O)C2O)C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)OC(C(=O)O)C1OC1OC(CO)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC(=O)OC1C(OC2OCC(O)C(O)C2O)C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)OC(C(=O)O)C1OC1OC(CO)C(O)C(O)C1O |
O=C(O)c1cc(O)c(O)c(O)c1 | undefined | Bitter; Umami, Multitaste | chemtastes_db | O=C(O)c1cc(O)c(O)c(O)c1 |
COC1C(O)COC(OC2C(C)OC(O)C(O)C2O)C1O | sweet | sweet-like | flavor_db | COC1C(O)COC(OC2C(C)OC(O)C(O)C2O)C1O |
CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(=O)O |
CSCCCN=C=S | undefined | horseradish, earthy, vegetable, sulfurous | flavor_db | CSCCCN=C=S |
CCC(S)CS | undefined | sulfur, meat, roasted | flavor_db | CCC(S)CS |
Cc1ccccc1C(c1ccccc1C)C([N+](=O)[O-])[N+](=O)[O-] | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | Cc1ccccc1C(c1ccccc1C)C([N+](=O)[O-])[N+](=O)[O-] |
COC(=O)CC(NC(=O)CCCc1ccccc1)C(=O)O | sweet | sweet | flavor_db | COC(=O)CC(NC(=O)CCCc1ccccc1)C(=O)O |
CSS(C)(=O)=O | undefined | sulfurous, roasted, pungent | flavor_db | CSS(C)(=O)=O |
CCC(C)C(=O)C1=C(O)C(O)(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(O)(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1=O |
CCC(=O)OCC=Cc1ccccc1 | sweet | grape, sweet, fruity, balsam, spicy | flavor_db | CCC(=O)OCC=Cc1ccccc1 |
CC(NC(=O)C(N)CC(=O)O)C(=O)NC(C)(C1CC1)C(C)(C)C | sweet | Sweet, Sweetness | chemtastes_db | CC(NC(=O)C(N)CC(=O)O)C(=O)NC(C)(C1CC1)C(C)(C)C |
OCC(O)C1OC(O)CC(O)C1O | sweet | sweet | flavor_db | OCC(O)C1OC(O)CC(O)C1O |
COc1c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c2c1=O | sweet | sweet-like | flavor_db | COc1c(-c2ccc(O)c(O)c2)oc2cc(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)cc(O)c2c1=O |
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O | sweet | Sweet, Sweetness | chemtastes_db | O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O |
O=C(O)CCc1ccc([N+](=O)[O-])cc1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)CCc1ccc([N+](=O)[O-])cc1 |
C=C(C)C1CC=C(C)CC1 | sweet | Sweet, Sweetness | chemtastes_db | C=C(C)C1CC=C(C)CC1 |
CC(O)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC(O)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O |
CCC(C)OC(=O)CCNC(=O)C(N)CC(=O)O | sweet | Sweet, Sweetness | chemtastes_db | CCC(C)OC(=O)CCNC(=O)C(N)CC(=O)O |
CC(C)c1ccc(CCC=O)cc1 | undefined | fresh, floral, muguet, melon, fruity | flavor_db | CC(C)c1ccc(CCC=O)cc1 |
O=C(O)Cc1cccc(O)c(=O)c1C(=O)O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)Cc1cccc(O)c(=O)c1C(=O)O |
O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl | bitter | Bitter, Bitterness | chemtastes_db | O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl |
O=c1cnc2[nH]c(=O)[nH]c(=O)c2[nH]1 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=c1cnc2[nH]c(=O)[nH]c(=O)c2[nH]1 |
O=C(O)c1ccc(Br)c2ccccc12 | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)c1ccc(Br)c2ccccc12 |
CC1(C(=O)O)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 | CC1(C(=O)O)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 |
COc1cc(O)c(C(C)=O)c(OC)c1 | undefined | camphor, borneol | flavor_db | COc1cc(O)c(C(C)=O)c(OC)c1 |
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12 | bitter | Bitter, Bitterness | chemtastes_db | O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12 |
COc1nc2c(N)ncnc2n1C1OC(COP(N)O)C(O)C1O | sweet | sweet-like | flavor_db | COc1nc2c(N)ncnc2n1C1OC(COP(N)O)C(O)C1O |
OCc1ccccc1 | sweet | berry, balsamic, rose, floral, walnut, sweet, cherry, phenolic, flower, grapefruit | flavor_db | OCc1ccccc1 |
OCC1OCC(O)(O)C(O)C1O | sweet | sweet | flavor_db | OCC1OCC(O)(O)C(O)C1O |
NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(=O)O | sweet | sweet | flavor_db | NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(=O)O |
CC(NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)O |
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(N)CCC(N)=O)C(=O)O | sweet | sweet | flavor_db | CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(N)CCC(N)=O)C(=O)O |
COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC=O | sweet | sweet-like | flavor_db | COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC=O |
COc1ccc(CCN(C)C(=O)C=Cc2ccc3c(c2)OCO3)cc1OC | bitter | bitter; umami | phytocompounds_db | COc1ccc(CCN(C)C(=O)C=Cc2ccc3c(c2)OCO3)cc1OC |
CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O | sweet | sweet | flavor_db | CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
CC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(N)CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(N)CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O |
C=C1C(=O)OC2CC3(C)CCCC(=C)C3(OO)CC12 | bitter | bitter (insufficient evidence) | phytocompounds_db | C=C1C(=O)OC2CC3(C)CCCC(=C)C3(OO)CC12 |
CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O |
OCC1OC(OOC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O | sweet | sweet | flavor_db | OCC1OC(OOC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
O=C(C(O)F)C(O)C(O)C(O)CO | sweet | sweet-like | flavor_db | O=C(C(O)F)C(O)C(O)C(O)CO |
C=CC1C(OCC2OC(OC(=O)c3cc(O)c(-c4cccc(O)c4)c(O)c3)C(O)C(O)C2O)OC=C2C(=O)OCCC21 | bitter | bitter | phytocompounds_db | C=CC1C(OCC2OC(OC(=O)c3cc(O)c(-c4cccc(O)c4)c(O)c3)C(O)C(O)C2O)OC=C2C(=O)OCCC21 |
CC1OC(OC2C(Oc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)OC(CO)C(O)C2O)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC1OC(OC2C(Oc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)OC(CO)C(O)C2O)C(O)C(O)C1O |
CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O | sweet | sweet | flavor_db | CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O |
NCCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O | sweet | sweet | flavor_db | NCCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(N)=O)C(=O)O |
CC=Cc1ccc(OCC)c(O)c1 | sweet | tobacco, powdery, vanilla, sweet, woody, spicy, phenolic | flavor_db | CC=Cc1ccc(OCC)c(O)c1 |
CCC(NC(=O)C(N)CC(=O)O)C(=O)OC | sweet | Sweet, Sweetness | chemtastes_db | CCC(NC(=O)C(N)CC(=O)O)C(=O)OC |
O=C(O)c1cccccc1=O | sour | pKa between 2 and 7 | IUPAC Dissocation Constants | O=C(O)c1cccccc1=O |
CSCCCC=O | undefined | garlic, cabbage | flavor_db | CSCCCC=O |
NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)OC1CCCCC1 | sweet | sweet | flavor_db | NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)OC1CCCCC1 |
CC(O)C(O)C(O)C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O | sweet | sweet-like | flavor_db | CC(O)C(O)C(O)C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O |
CC1=CC2OCC(C)=C2CC1 | undefined | mint, floral | flavor_db | CC1=CC2OCC(C)=C2CC1 |
CC(=O)C1(C)CC=C(C)CC1 | undefined | fruity | flavor_db | CC(=O)C1(C)CC=C(C)CC1 |