1.0 2010-04-08 22:09:41 UTC 2019-11-26 03:05:03 UTC FDB011529 Gentiatibetine Alkaloid from Gentiana lutea (yellow gentian). Gentiatibetine is found in alcoholic beverages, herbs and spices, and root vegetables. Gentiotibetine C9H11NO2 165.1891 165.078978601 8-methyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-ol 8-methyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-ol 26005-36-7 CC1=C2C(O)OCCC2=CC=N1 InChI=1S/C9H11NO2/c1-6-8-7(2-4-10-6)3-5-12-9(8)11/h2,4,9,11H,3,5H2,1H3 HCBOYQSYWSEVID-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring. Pyranopyridines Organic compounds Organoheterocyclic compounds Pyranopyridines Aromatic heteropolycyclic compounds Azacyclic compounds Hemiacetals Heteroaromatic compounds Hydrocarbon derivatives Methylpyridines Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Azacycle Hemiacetal Heteroaromatic compound Hydrocarbon derivative Methylpyridine Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyranopyridine Pyridine logp 0.34 ALOGPS logs -0.17 ALOGPS solubility 1.11e+02 g/l ALOGPS melting_point Mp 161.5° logp 0.44 ChemAxon pka_strongest_acidic 11.44 ChemAxon pka_strongest_basic 5.78 ChemAxon iupac 8-methyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-ol ChemAxon average_mass 165.1891 ChemAxon mono_mass 165.078978601 ChemAxon smiles CC1=C2C(O)OCCC2=CC=N1 ChemAxon formula C9H11NO2 ChemAxon inchi InChI=1S/C9H11NO2/c1-6-8-7(2-4-10-6)3-5-12-9(8)11/h2,4,9,11H,3,5H2,1H3 ChemAxon inchikey HCBOYQSYWSEVID-UHFFFAOYSA-N ChemAxon polar_surface_area 42.35 ChemAxon refractivity 44.4 ChemAxon polarizability 17.14 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10292 Specdb::CMs 43320 Specdb::CMs 164656 Specdb::MsIr 6107 Specdb::MsIr 6108 Specdb::MsIr 6109 Specdb::MsMs 86016 Specdb::MsMs 86017 Specdb::MsMs 86018 Specdb::MsMs 148233 Specdb::MsMs 148234 Specdb::MsMs 148235 Specdb::MsMs 2690531 Specdb::MsMs 2690532 Specdb::MsMs 2690533 Specdb::MsMs 2988194 Specdb::MsMs 2988195 Specdb::MsMs 2988196 Specdb::NmrOneD 120198 Specdb::NmrOneD 120199 Specdb::NmrOneD 120200 Specdb::NmrOneD 120201 Specdb::NmrOneD 120202 Specdb::NmrOneD 120203 Specdb::NmrOneD 120204 Specdb::NmrOneD 120205 Specdb::NmrOneD 120206 Specdb::NmrOneD 120207 Specdb::NmrOneD 120208 Specdb::NmrOneD 120209 Specdb::NmrOneD 120210 Specdb::NmrOneD 120211 Specdb::NmrOneD 120212 Specdb::NmrOneD 120213 Specdb::NmrOneD 120214 Specdb::NmrOneD 120215 Specdb::NmrOneD 120216 Specdb::NmrOneD 120217 HMDB33485 #<Reference:0x000055ce31a64af0> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic Root vegetables Unknown generic