1.02010-04-08 22:14:26 UTC2017-03-11 22:59:26 UTCFDB019556xi-8-AcetonyldihydrosanguinarineAlkaloid from Papaver somniferum (opium poppy)C23H19NO5389.4007389.1263227231-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}propan-2-one1-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}propan-2-one88588-10-7 37687-34-6CN1C(CC(C)=O)C2=C(C=CC3=C2OCO3)C2=C1C1=CC3=C(OCO3)C=C1C=C2InChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3ONEHMWWDDDSJBB-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydrobenzophenanthridine alkaloids. These are alkaloids containing a dihydrobenzophenanthridine skeleton, which is a tetracyclic compound containing a benzene fused to a dihydrophenanthridine moiety.Dihydrobenzophenanthridine alkaloidsOrganic compoundsAlkaloids and derivativesBenzophenanthridine alkaloidsDihydrobenzophenanthridine alkaloidslogp3.44logs-4.03solubility3.66e-02 g/lmelting_pointMp 194-195.5°logp3.82pka_strongest_acidic18.61pka_strongest_basic1.85iupac1-{24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl}propan-2-oneaverage_mass389.4007mono_mass389.126322723smilesCN1C(CC(C)=O)C2=C(C=CC3=C2OCO3)C2=C1C1=CC3=C(OCO3)C=C1C=C2formulaC23H19NO5inchiInChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3inchikeyONEHMWWDDDSJBB-UHFFFAOYSA-Npolar_surface_area57.23refractivity106.17polarizability41.22rotatable_bond_count2acceptor_count6donor_count0physiological_charge0formal_charge0Specdb::CMs17162Specdb::CMs152711Specdb::MsMs45147Specdb::MsMs45148Specdb::MsMs45149Specdb::MsMs134901Specdb::MsMs134902Specdb::MsMs134903Specdb::MsMs2699611Specdb::MsMs2699612Specdb::MsMs2699613Specdb::MsMs3006069Specdb::MsMs3006070Specdb::MsMs3006071HMDB39896#<Reference:0x000055567645cc30>