1.0 2010-04-08 22:13:29 UTC 2025-11-19 02:08:28 UTC FDB018075 Citrusin II Isolated from Citrus sinensis (orange). Citrusin II is found in sweet orange and citrus. C37H44N8O7 712.808 712.333295789 21-benzyl-18-[(1H-indol-3-yl)methyl]-3-methyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosane-2,5,11,14,17,20,23-heptone 21-benzyl-18-(1H-indol-3-ylmethyl)-3-methyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosane-2,5,11,14,17,20,23-heptone 139626-29-2 CC1NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O InChI=1S/C37H44N8O7/c1-22-37(52)45-16-8-14-30(45)36(51)43-27(17-23-9-3-2-4-10-23)34(49)42-28(18-24-19-38-26-12-6-5-11-25(24)26)33(48)40-20-31(46)39-21-32(47)44-15-7-13-29(44)35(50)41-22/h2-6,9-12,19,22,27-30,38H,7-8,13-18,20-21H2,1H3,(H,39,46)(H,40,48)(H,41,50)(H,42,49)(H,43,51) QRRCCRJORDBZGC-UHFFFAOYSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 3-alkylindoles Alpha amino acids and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Cyclic peptides Heteroaromatic compounds Hydrocarbon derivatives Lactams Macrolactams Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrrolidines Secondary carboxylic acid amides Substituted pyrroles Tertiary carboxylic acid amides 3-alkylindole Alpha-amino acid or derivatives Alpha-oligopeptide Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Cyclic alpha peptide Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Lactam Macrolactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrolidine Secondary carboxylic acid amide Substituted pyrrole Tertiary carboxylic acid amide logp 1.36 ALOGPS logs -3.91 ALOGPS solubility 8.82e-02 g/l ALOGPS melting_point Mp 213-215° logp -0.94 ChemAxon pka_strongest_acidic 11.68 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 21-benzyl-18-[(1H-indol-3-yl)methyl]-3-methyl-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosane-2,5,11,14,17,20,23-heptone ChemAxon average_mass 712.808 ChemAxon mono_mass 712.333295789 ChemAxon smiles CC1NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O ChemAxon formula C37H44N8O7 ChemAxon inchi InChI=1S/C37H44N8O7/c1-22-37(52)45-16-8-14-30(45)36(51)43-27(17-23-9-3-2-4-10-23)34(49)42-28(18-24-19-38-26-12-6-5-11-25(24)26)33(48)40-20-31(46)39-21-32(47)44-15-7-13-29(44)35(50)41-22/h2-6,9-12,19,22,27-30,38H,7-8,13-18,20-21H2,1H3,(H,39,46)(H,40,48)(H,41,50)(H,42,49)(H,43,51) ChemAxon inchikey QRRCCRJORDBZGC-UHFFFAOYSA-N ChemAxon polar_surface_area 201.91 ChemAxon refractivity 187.8 ChemAxon polarizability 72.15 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 107523 Specdb::MsMs 107524 Specdb::MsMs 107525 Specdb::MsMs 174519 Specdb::MsMs 174520 Specdb::MsMs 174521 Specdb::MsMs 3606308 Specdb::MsMs 3606309 Specdb::MsMs 3606310 Specdb::MsMs 3606311 Specdb::MsMs 3606312 Specdb::MsMs 3606313 Citrus Unknown generic Sweet orange Type 1 specific Citrus sinensis 2711