1.0 2010-04-08 22:13:31 UTC 2025-11-19 02:09:20 UTC FDB018131 (S)-Annocherine A Alkaloid from Annona cherimola (cherimoya). (S)-Annocherine A is found in fruits. C17H15NO4 297.3053 297.100107973 1-[hydroxy(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol 1-[hydroxy(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol COC1=C(O)C=C2C(C=CN=C2C(O)C2=CC=C(O)C=C2)=C1 InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3 XWZBLZPLPZOXQV-UHFFFAOYSA-N belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Benzylisoquinolines Organic compounds Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aromatic alcohols Azacyclic compounds Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Alcohol Alkyl aryl ether Anisole Aromatic alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Benzylisoquinoline Ether Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Pyridine Secondary alcohol logp 2.10 ALOGPS logs -3.10 ALOGPS solubility 2.37e-01 g/l ALOGPS melting_point Mp 156-158° logp 2.23 ChemAxon pka_strongest_acidic 8.96 ChemAxon pka_strongest_basic 5.46 ChemAxon iupac 1-[hydroxy(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol ChemAxon average_mass 297.3053 ChemAxon mono_mass 297.100107973 ChemAxon smiles COC1=C(O)C=C2C(C=CN=C2C(O)C2=CC=C(O)C=C2)=C1 ChemAxon formula C17H15NO4 ChemAxon inchi InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3 ChemAxon inchikey XWZBLZPLPZOXQV-UHFFFAOYSA-N ChemAxon polar_surface_area 82.81 ChemAxon refractivity 81.43 ChemAxon polarizability 30.54 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22574 Specdb::CMs 46008 Specdb::CMs 168777 Specdb::MsMs 102564 Specdb::MsMs 102565 Specdb::MsMs 102566 Specdb::MsMs 168408 Specdb::MsMs 168409 Specdb::MsMs 168410 Specdb::MsMs 2274882 Specdb::MsMs 2274883 Specdb::MsMs 2274884 Specdb::MsMs 3091004 Specdb::MsMs 3091005 Specdb::MsMs 3091006 HMDB0038723 Fruits Unknown generic