1.0 2010-04-08 22:10:35 UTC 2015-07-20 22:57:01 UTC FDB013194 Anaxagoreine Alkaloid from Cananga odorata (ylang ylang) Anaxagoreine C17H17NO3 283.3218 283.120843415 16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-8,15-diol 16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-8,15-diol 77410-38-9 COC1=C(O)C=C2CCNC3C(O)C4=CC=CC=C4C1=C23 InChI=1S/C17H17NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-5,8,15-16,18-20H,6-7H2,1H3 QDXOCDFPAQQYKD-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy-7-aporphines. These are aporphines containing a hydroxyl group at the 7-position. Hydroxy-7-aporphines Organic compounds Alkaloids and derivatives Aporphines Hydroxy-7-aporphines Aromatic heteropolycyclic compounds 1,2-aminoalcohols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Benzoquinolines Dialkylamines Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Phenanthrenes and derivatives Secondary alcohols Tetrahydroisoquinolines 1,2-aminoalcohol 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Alcohol Alkyl aryl ether Amine Anisole Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Ether Hydrocarbon derivative Hydroxy-7-aporphine Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quinoline Secondary alcohol Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline logp 1.08 ALOGPS logs -2.67 ALOGPS solubility 6.11e-01 g/l ALOGPS melting_point Mp 198-200° logp 0.91 ChemAxon pka_strongest_acidic 7.24 ChemAxon pka_strongest_basic 11.47 ChemAxon iupac 16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-8,15-diol ChemAxon average_mass 283.3218 ChemAxon mono_mass 283.120843415 ChemAxon smiles COC1=C(O)C=C2CCNC3C(O)C4=CC=CC=C4C1=C23 ChemAxon formula C17H17NO3 ChemAxon inchi InChI=1S/C17H17NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-5,8,15-16,18-20H,6-7H2,1H3 ChemAxon inchikey QDXOCDFPAQQYKD-UHFFFAOYSA-N ChemAxon polar_surface_area 61.72 ChemAxon refractivity 80.38 ChemAxon polarizability 30.21 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15921 Specdb::CMs 43983 Specdb::CMs 163425 Specdb::MsMs 101682 Specdb::MsMs 101683 Specdb::MsMs 101684 Specdb::MsMs 167337 Specdb::MsMs 167338 Specdb::MsMs 167339 Specdb::MsMs 2362958 Specdb::MsMs 2362959 Specdb::MsMs 2362960 Specdb::MsMs 2602577 Specdb::MsMs 2602578 Specdb::MsMs 2602579 HMDB34669 #<Reference:0x000055ce32daf100>