1.0 2010-04-08 22:10:16 UTC 2025-11-18 23:38:23 UTC FDB012631 Nb-Methyltetrahydroharmol Alkaloid from Elaeagnus angustifolia (Russian olive). Nb-Methyltetrahydroharmol is found in fruits. Nb-Methyltetrahydroharmol C13H16N2O 216.2789 216.126263144 1,2-dimethyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-7-ol 1,2-dimethyl-1H,3H,4H,9H-pyrido[3,4-b]indol-7-ol CC1N(C)CCC2=C1NC1=C2C=CC(O)=C1 InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3 AGILGFCOHSGLIT-UHFFFAOYSA-N belongs to the class of organic compounds known as harmala alkaloids. Harmala alkaloids are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole. Harmala alkaloids Organic compounds Alkaloids and derivatives Harmala alkaloids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 3-alkylindoles Aralkylamines Azacyclic compounds Beta carbolines Heteroaromatic compounds Hydrocarbon derivatives Hydroxyindoles Organooxygen compounds Organopnictogen compounds Pyrroles Trialkylamines 1-hydroxy-2-unsubstituted benzenoid 3-alkylindole Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-carboline Harmaline Harmalol Harman Heteroaromatic compound Hydrocarbon derivative Hydroxyindole Indole Indole or derivatives Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridoindole Pyrrole Tertiary aliphatic amine Tertiary amine logp 2.37 ALOGPS logs -1.98 ALOGPS solubility 2.24e+00 g/l ALOGPS melting_point Mp 268-270° logp 2.09 ChemAxon pka_strongest_acidic 6.73 ChemAxon pka_strongest_basic 9.84 ChemAxon iupac 1,2-dimethyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-7-ol ChemAxon average_mass 216.2789 ChemAxon mono_mass 216.126263144 ChemAxon smiles CC1N(C)CCC2=C1NC1=C2C=CC(O)=C1 ChemAxon formula C13H16N2O ChemAxon inchi InChI=1S/C13H16N2O/c1-8-13-11(5-6-15(8)2)10-4-3-9(16)7-12(10)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3 ChemAxon inchikey AGILGFCOHSGLIT-UHFFFAOYSA-N ChemAxon polar_surface_area 39.26 ChemAxon refractivity 65.27 ChemAxon polarizability 24.58 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26004 Specdb::CMs 43800 Specdb::CMs 137058 Specdb::CMs 144792 Specdb::MsMs 10265 Specdb::MsMs 10266 Specdb::MsMs 10267 Specdb::MsMs 16937 Specdb::MsMs 16938 Specdb::MsMs 16939 Specdb::MsMs 2468530 Specdb::MsMs 2468531 Specdb::MsMs 2468532 Specdb::MsMs 2497868 Specdb::MsMs 2497869 Specdb::MsMs 2497870 Specdb::NmrOneD 125538 Specdb::NmrOneD 125539 Specdb::NmrOneD 125540 Specdb::NmrOneD 125541 Specdb::NmrOneD 125542 Specdb::NmrOneD 125543 Specdb::NmrOneD 125544 Specdb::NmrOneD 125545 Specdb::NmrOneD 125546 Specdb::NmrOneD 125547 Specdb::NmrOneD 125548 Specdb::NmrOneD 125549 Specdb::NmrOneD 125550 Specdb::NmrOneD 125551 Specdb::NmrOneD 125552 Specdb::NmrOneD 125553 Specdb::NmrOneD 125554 Specdb::NmrOneD 125555 Specdb::NmrOneD 125556 Specdb::NmrOneD 125557 HMDB34292 #<Reference:0x000055ce300ad508> Fruits Unknown generic