1.0 2010-04-08 22:06:11 UTC 2025-11-18 22:55:46 UTC FDB004294 Supinidine Supinidine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Supinidine? can be found in borage, which makes supinidine? a potential biomarker for the consumption of this food product. C8H13NO 139.198 139.099714043 [(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methanol supinidine 551-59-7 [H][C@@]12CCCN1CC=C2CO InChI=1S/C8H13NO/c10-6-7-3-5-9-4-1-2-8(7)9/h3,8,10H,1-2,4-6H2/t8-/m0/s1 XMJAZPFSQQKHEG-QMMMGPOBSA-N belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Alkaloids and derivatives Organic compounds Alkaloids and derivatives Aliphatic heteropolycyclic compounds 1,3-aminoalcohols Azacyclic compounds Hydrocarbon derivatives N-alkylpyrrolidines Organopnictogen compounds Primary alcohols Pyrrolines Pyrrolizines Trialkylamines 1,3-aminoalcohol Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Amine Azacycle Hydrocarbon derivative N-alkylpyrrolidine Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrrolidine Pyrroline Pyrrolizine Tertiary aliphatic amine Tertiary amine Pyrrolizidine alkaloids pyrrolizines logp 0.44 ALOGPS logs 0.61 ALOGPS solubility 5.62e+02 g/l ALOGPS logp -0.026 ChemAxon pka_strongest_acidic 15.11 ChemAxon pka_strongest_basic 9.69 ChemAxon iupac [(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methanol ChemAxon average_mass 139.198 ChemAxon mono_mass 139.099714043 ChemAxon smiles [H][C@@]12CCCN1CC=C2CO ChemAxon formula C8H13NO ChemAxon inchi InChI=1S/C8H13NO/c10-6-7-3-5-9-4-1-2-8(7)9/h3,8,10H,1-2,4-6H2/t8-/m0/s1 ChemAxon inchikey XMJAZPFSQQKHEG-QMMMGPOBSA-N ChemAxon polar_surface_area 23.47 ChemAxon refractivity 41.61 ChemAxon polarizability 15.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87462 Specdb::MsMs 87463 Specdb::MsMs 87464 Specdb::MsMs 149973 Specdb::MsMs 149974 Specdb::MsMs 149975 Specdb::MsMs 3600212 Specdb::MsMs 3600213 Specdb::MsMs 3600214 Specdb::MsMs 3600215 Specdb::MsMs 3600216 Specdb::MsMs 3600217 Borage Type 1 specific Borago officinalis 13363