1.0 2010-04-08 22:10:28 UTC 2025-11-18 23:40:27 UTC FDB012978 (+)-Norushinsunine N-oxide Alkaloid from Cananga odorata (ylang ylang). (+)-Norushinsunine N-oxide C18H17NO4 311.3319 311.115758037 13-hydroxy-11-methyl-3,5-dioxa-11λ⁵-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-one 13-hydroxy-11-methyl-3,5-dioxa-11λ⁵-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-one CN1(=O)CCC2=CC3=C(OCO3)C3=C2C1C(O)C1=CC=CC=C31 InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3 PQQSHMZUVWGXSV-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 Acetals Azacyclic compounds Benzodioxoles Benzoquinolines Hydrocarbon derivatives Naphthalenes Organic oxides Organic zwitterions Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Secondary alcohols Tetrahydroisoquinolines Trialkyl amine oxides Trisubstituted amine oxides and derivatives Acetal Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Benzoquinoline Hydrocarbon derivative Hydroxy-7-aporphine N-oxide Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Quinoline Secondary alcohol Tetrahydroisoquinoline Trialkyl amine oxide Trisubstituted n-oxide logp 0.40 ALOGPS logs -3.55 ALOGPS solubility 8.78e-02 g/l ALOGPS melting_point Mp 177-179° logp 1.28 ChemAxon pka_strongest_acidic 13.23 ChemAxon pka_strongest_basic 0.88 ChemAxon iupac 13-hydroxy-11-methyl-3,5-dioxa-11λ⁵-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-one ChemAxon average_mass 311.3319 ChemAxon mono_mass 311.115758037 ChemAxon smiles CN1(=O)CCC2=CC3=C(OCO3)C3=C2C1C(O)C1=CC=CC=C31 ChemAxon formula C18H17NO4 ChemAxon inchi InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3 ChemAxon inchikey PQQSHMZUVWGXSV-UHFFFAOYSA-N ChemAxon polar_surface_area 65.57 ChemAxon refractivity 85.05 ChemAxon polarizability 32.51 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25561 Specdb::CMs 43892 Specdb::CMs 137736 Specdb::CMs 145470 Specdb::MsMs 322645 Specdb::MsMs 322646 Specdb::MsMs 322647 Specdb::MsMs 370603 Specdb::MsMs 370604 Specdb::MsMs 370605 Specdb::MsMs 2351029 Specdb::MsMs 2351030 Specdb::MsMs 2351031 Specdb::MsMs 2583932 Specdb::MsMs 2583933 Specdb::MsMs 2583934 HMDB34489 #<Reference:0x000055ce32d9fcc8>