| Name | SMILES | Flavor type | Data resource |
|---|---|---|---|
| cytisine | O=c1cccc2n1CC1CNCC2C1 | Bitter | PlantMolecularTasteDB |
| Inosine | O=c1nc[nH]c2c1ncn2C1OC(CO)C(O)C1O | Bitter | BitterDB, ChemTasteDB |
| Hypoxanthine | O=c1nc[nH]c2nc[nH]c12 | Bitter | BitterDB, ChemTasteDB |
| Coumestrol | O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12 | Bitter | ChemTasteDB, Natural_TAS2R_agonists, PlantMolecularTasteDB, BitterDB, BitterSweet |
| Dicumarol | O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O | Bitter | PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| Isocoumarin | O=c1occc2ccccc12 | Bitter | BitterSweet |
| Diphenidol | OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Chloral hydrate | OC(O)C(Cl)(Cl)Cl | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| (Z)-cinnamyl alcohol | OC/C=C\c1ccccc1 | Bitter | BitterSweet |
| Retamine | OC1CCCN2CC3CC(CN4CCCCC34)C12 | Bitter | BitterSweet, PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| peganine | OC1CCN2Cc3ccccc3N=C12 | Bitter | PlantMolecularTasteDB, PhytoMolecularTasteDB |
| cubebin | OC1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2 | Bitter | PlantMolecularTasteDB |
| (+)-afzelechin-7-O-beta-D-apioside | OCC1(O)COC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C(O)C3)C1O | Bitter | PlantMolecularTasteDB |
| aucubin | OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12 | Bitter | PlantMolecularTasteDB |
| aucubin | OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 | Bitter | PhytoMolecularTasteDB |
| Lupinine | OCC1CCCN2CCCCC12 | Bitter | PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| 6-O-benzyl sucrose | OCC1OC(CO)(OC2OC(COCc3ccccc3)C(O)C(O)C2O)C(O)C1O | Bitter | ChemTasteDB |
| catalpol | OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O | Bitter | PlantMolecularTasteDB |
| Cyanidin-3-glucoside | OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O | Bitter | PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| Arbutin | OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O | Bitter | Natural_TAS2R_agonists, PlantMolecularTasteDB, BitterDB, ChemTasteDB |
| 2-Naphthyl beta-D-glucopyranoside | OCC1OC(Oc2ccc3ccccc3c2)C(O)C(O)C1O | Bitter | BitterDB, ChemTasteDB |
| Phenyl beta-D-glucopyranoside | OCC1OC(Oc2ccccc2)C(O)C(O)C1O | Bitter | BitterDB, ChemTasteDB |
| Cinnamyl alcohol | OCC=Cc1ccccc1 | Bitter | ChemTasteDB, BitterSweet, BitterDB, FlavorDB |
| 1,5-Pentanediol | OCCCCCO | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Dipyridamole | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | Bitter | BitterSweet, BitterDB, ChemTasteDB |
| Phenethyl alcohol | OCCc1ccccc1 | Bitter | ChemTasteDB, Food Flavor Laboratory, Off-flavor, FlavorDB, AromaDB, BitterDB, Flavornet |
| Lupinine | OC[C@@H]1CCCN2CCCC[C@H]12 | Bitter | BitterSweet |
| gentiobiose | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | Bitter | BitterSweet, PhytoMolecularTasteDB |
| gentianose | OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | Bitter | PhytoMolecularTasteDB |