1.0 2010-04-08 22:09:37 UTC 2019-11-26 03:04:52 UTC FDB011384 Xanthoplanine Quaternary alkaloid from Litsea cubeba (mountain pepper). Xanthoplanine is found in fruits. (+)-Xanthoplanine Xanthoplanine C21H26NO4 356.4354 356.186183325 5-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-ium 5-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-ium 6872-88-4 COC1=C(O)C=C2CC3C4=C(C(OC)=C(OC)C=C4CC[N+]3(C)C)C2=C1 InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1 FGUCOPALAZXICJ-UHFFFAOYSA-O belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Aporphines Organic compounds Alkaloids and derivatives Aporphines Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Benzoquinolines Hydrocarbon derivatives Naphthalenes Organic cations Organic salts Organopnictogen compounds Phenanthrenes and derivatives Tetraalkylammonium salts Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Ether Hydrocarbon derivative Naphthalene Organic cation Organic nitrogen compound Organic oxygen compound Organic salt Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quaternary ammonium salt Quinoline Tetraalkylammonium salt Tetrahydroisoquinoline logp 0.80 ALOGPS logs -5.52 ALOGPS solubility 1.18e-03 g/l ALOGPS melting_point Mp 207-209° (as iodide) logp -1.2 ChemAxon pka_strongest_acidic 7.1 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 5-hydroxy-4,15,16-trimethoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-10-ium ChemAxon average_mass 356.4354 ChemAxon mono_mass 356.186183325 ChemAxon smiles COC1=C(O)C=C2CC3C4=C(C(OC)=C(OC)C=C4CC[N+]3(C)C)C2=C1 ChemAxon formula C21H26NO4 ChemAxon inchi InChI=1S/C21H25NO4/c1-22(2)7-6-12-10-18(25-4)21(26-5)20-14-11-17(24-3)16(23)9-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1 ChemAxon inchikey FGUCOPALAZXICJ-UHFFFAOYSA-O ChemAxon polar_surface_area 47.92 ChemAxon refractivity 113.31 ChemAxon polarizability 39.79 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 12167 Specdb::CMs 43260 Specdb::CMs 166045 Specdb::MsMs 292765 Specdb::MsMs 292766 Specdb::MsMs 292767 Specdb::MsMs 2957385 Specdb::MsMs 2957386 Specdb::MsMs 2957387 Specdb::NmrOneD 119458 Specdb::NmrOneD 119459 Specdb::NmrOneD 119460 Specdb::NmrOneD 119461 Specdb::NmrOneD 119462 Specdb::NmrOneD 119463 Specdb::NmrOneD 119464 Specdb::NmrOneD 119465 Specdb::NmrOneD 119466 Specdb::NmrOneD 119467 Specdb::NmrOneD 119468 Specdb::NmrOneD 119469 Specdb::NmrOneD 119470 Specdb::NmrOneD 119471 Specdb::NmrOneD 119472 Specdb::NmrOneD 119473 Specdb::NmrOneD 119474 Specdb::NmrOneD 119475 Specdb::NmrOneD 119476 Specdb::NmrOneD 119477 HMDB33356 #<Reference:0x000055ce31eff010> Fruits Unknown generic