1.0 2010-04-08 22:10:01 UTC 2019-11-26 03:06:19 UTC FDB012170 Juzirine Alkaloid from the leaves of Zizyphus jujuba (Chinese date). Juzirine is found in fruits. 1-((4-Hydroxyphenyl)methyl)-6-methoxy-7-isoquinolinol 7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxyisoquinoline 7-Isoquinolinol, 1-((4-hydroxyphenyl)methyl)-6-methoxy- Juzirine Yuzirine C17H15NO3 281.3059 281.105193351 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol 64069-53-0 COC1=C(O)C=C2C(CC3=CC=C(O)C=C3)=NC=CC2=C1 InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3 XUCRLUHFLBPVRO-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 Azacyclic compounds Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyridines and derivatives 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole 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 logp 2.96 ALOGPS logs -3.64 ALOGPS solubility 6.51e-02 g/l ALOGPS melting_point Mp 203-205° logp 2.95 ChemAxon pka_strongest_acidic 9.14 ChemAxon pka_strongest_basic 6.05 ChemAxon iupac 1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol ChemAxon average_mass 281.3059 ChemAxon mono_mass 281.105193351 ChemAxon smiles COC1=C(O)C=C2C(CC3=CC=C(O)C=C3)=NC=CC2=C1 ChemAxon formula C17H15NO3 ChemAxon inchi InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3 ChemAxon inchikey XUCRLUHFLBPVRO-UHFFFAOYSA-N ChemAxon polar_surface_area 62.58 ChemAxon refractivity 80.09 ChemAxon polarizability 29.44 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24174 Specdb::CMs 43607 Specdb::CMs 171253 Specdb::MsMs 6614 Specdb::MsMs 6615 Specdb::MsMs 6616 Specdb::MsMs 13286 Specdb::MsMs 13287 Specdb::MsMs 13288 Specdb::MsMs 2768549 Specdb::MsMs 2768550 Specdb::MsMs 2768551 Specdb::MsMs 2913794 Specdb::MsMs 2913795 Specdb::MsMs 2913796 HMDB33954 #<Reference:0x000055ce31bfd718> Fruits Unknown generic