1.0 2010-04-08 22:09:48 UTC 2019-11-26 03:05:21 UTC FDB011736 Fistulosin Alkaloid from the roots of Allium fistulosum (Welsh onion). Fistulosin is found in onion-family vegetables. 1,2-Dihydro-2-octadecyl-3H-indol-3-one 2-Octadecyl-1H-indol-3-ol Fistulosin C26H43NO 385.6257 385.334465003 2-octadecyl-1H-indol-3-ol 2-octadecyl-1H-indol-3-ol CCCCCCCCCCCCCCCCCCC1=C(O)C2=CC=CC=C2N1 InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3 AYPYUZXAFNVUEC-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 Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Indoles Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Hydroxyindole Indole Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 9.48 ALOGPS logs -7.08 ALOGPS solubility 3.20e-05 g/l ALOGPS melting_point Mp 80-83° logp 9.6 ChemAxon pka_strongest_acidic 9.3 ChemAxon pka_strongest_basic -6.2 ChemAxon iupac 2-octadecyl-1H-indol-3-ol ChemAxon average_mass 385.6257 ChemAxon mono_mass 385.334465003 ChemAxon smiles CCCCCCCCCCCCCCCCCCC1=C(O)C2=CC=CC=C2N1 ChemAxon formula C26H43NO ChemAxon inchi InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3 ChemAxon inchikey AYPYUZXAFNVUEC-UHFFFAOYSA-N ChemAxon polar_surface_area 36.02 ChemAxon refractivity 122.42 ChemAxon polarizability 52.21 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25854 Specdb::CMs 43402 Specdb::CMs 132775 Specdb::CMs 140509 Specdb::MsMs 66879 Specdb::MsMs 66880 Specdb::MsMs 66881 Specdb::MsMs 124563 Specdb::MsMs 124564 Specdb::MsMs 124565 Specdb::MsMs 2686671 Specdb::MsMs 2686672 Specdb::MsMs 2686673 Specdb::MsMs 2991434 Specdb::MsMs 2991435 Specdb::MsMs 2991436 HMDB33637 #<Reference:0x000055ce2d053560> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875