1.0 2020-04-02 17:34:36 UTC 2025-11-19 03:07:39 UTC FDB097218 6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline C9H6Cl6O3S 406.9 403.8168814 1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-6-ol 1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-6-ol [H][C@]12CO[S@](=O)OC[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7+,8-,19- RDYMFSUJUZBWLH-FYHLGZKHSA-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 Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Hydroxyindoles Organooxygen compounds Organopnictogen compounds Pyrroles 1-hydroxy-2-unsubstituted benzenoid 3-alkylindole Amine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-carboline 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 Secondary aliphatic amine Secondary amine logp 1.57 ALOGPS logs -2.59 ALOGPS solubility 5.26e-01 g/l ALOGPS logp 1.21 ChemAxon pka_strongest_acidic 9.71 ChemAxon pka_strongest_basic 9.03 ChemAxon iupac 1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-6-ol ChemAxon average_mass 406.9 ChemAxon mono_mass 403.8168814 ChemAxon smiles [H][C@]12CO[S@](=O)OC[C@@]1([H])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ChemAxon formula C9H6Cl6O3S ChemAxon inchi InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7+,8-,19- ChemAxon inchikey RDYMFSUJUZBWLH-FYHLGZKHSA-N ChemAxon polar_surface_area 48.05 ChemAxon refractivity 59.98 ChemAxon polarizability 22.61 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3409143 Specdb::MsMs 3409144 Specdb::MsMs 3409145 Specdb::MsMs 3409146 Specdb::MsMs 3409147 Specdb::MsMs 3409148 Specdb::CMs 112794 Specdb::CMs 126352 Specdb::CMs 827755 Specdb::CMs 827756 Specdb::CMs 827757 Specdb::CMs 827758 Specdb::CMs 827759 Specdb::CMs 827760 Banana Type 1 specific Musa acuminata 4641 Garden tomato Type 1 specific Solanum lycopersicum 4081 Kiwi Type 1 specific Actinidia chinensis 3625 Milk (Cow) Type 2 specific 0.335984 0.55 0.00492 uM Pineapple Type 1 specific Ananas comosus 4615