1.0 2010-04-08 22:05:08 UTC 2025-11-18 22:33:18 UTC FDB001863 Rapalexin B Rapalexin b is a member of the class of compounds known as hydroxyindoles. Hydroxyindoles are organic compounds containing an indole moiety that carries a hydroxyl group. Rapalexin b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rapalexin b can be found in chinese cabbage, which makes rapalexin b a potential biomarker for the consumption of this food product. C10H8N2O2S 220.248 220.0306482 3-isothiocyanato-4-methoxy-1H-indol-5-ol 3-isothiocyanato-4-methoxy-1H-indol-5-ol 929083-73-8 COC1=C2C(NC=C2N=C=S)=CC=C1O InChI=1S/C10H8N2O2S/c1-14-10-8(13)3-2-6-9(10)7(4-11-6)12-5-15/h2-4,11,13H,1H3 RIANPHYYVJUMIF-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. Hydroxyindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Indoles Isothiocyanates Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Substituted pyrroles 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Ether Heteroaromatic compound Hydrocarbon derivative Hydroxyindole Indole Isothiocyanate Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Pyrrole Substituted pyrrole logp 2.70 ALOGPS logs -3.39 ALOGPS solubility 8.96e-02 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_acidic 9.16 ChemAxon pka_strongest_basic -0.35 ChemAxon iupac 3-isothiocyanato-4-methoxy-1H-indol-5-ol ChemAxon average_mass 220.248 ChemAxon mono_mass 220.0306482 ChemAxon smiles COC1=C2C(NC=C2N=C=S)=CC=C1O ChemAxon formula C10H8N2O2S ChemAxon inchi InChI=1S/C10H8N2O2S/c1-14-10-8(13)3-2-6-9(10)7(4-11-6)12-5-15/h2-4,11,13H,1H3 ChemAxon inchikey RIANPHYYVJUMIF-UHFFFAOYSA-N ChemAxon polar_surface_area 57.61 ChemAxon refractivity 62.65 ChemAxon polarizability 21.94 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51003 Specdb::MsMs 51004 Specdb::MsMs 51005 Specdb::MsMs 121428 Specdb::MsMs 121429 Specdb::MsMs 121430 Specdb::MsMs 3598819 Specdb::MsMs 3598820 Specdb::MsMs 3598821 Specdb::MsMs 3598822 Specdb::MsMs 3598823 Specdb::MsMs 3598824 Chinese cabbage Type 1 specific Brassica rapa 3711