1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:45 UTC FDB001746 5-Hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene can be found in black crowberry, which makes 5-hydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene a potential biomarker for the consumption of this food product. C37H47N3O7 645.785 645.341400873 benzyl 2-{2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]-3-phenylpropanamido}-4-methylpentanoate benzyl 2-{2-[3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]propanamido]-3-phenylpropanamido}-4-methylpentanoate 145544-41-8 CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1 InChI=1S/C37H47N3O7/c1-26(2)21-31(35(43)46-24-29-19-13-8-14-20-29)39-33(41)30(22-27-15-9-6-10-16-27)38-34(42)32(40-36(44)47-37(3,4)5)25-45-23-28-17-11-7-12-18-28/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,42)(H,39,41)(H,40,44) QRTAICOFOHHOKD-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 homomonocyclic compounds Alpha amino acid amides Alpha amino acid esters Amphetamines and derivatives Benzylethers Benzyloxycarbonyls Carbamate esters Carbonyl compounds Carboxylic acid esters Dialkyl ethers Fatty acid esters Fatty amides Hydrocarbon derivatives Leucine and derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenylalanine and derivatives Secondary carboxylic acid amides Alpha-amino acid amide Alpha-amino acid ester Alpha-amino acid or derivatives Alpha-oligopeptide Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Benzylether Benzyloxycarbonyl Carbamic acid ester Carbonic acid derivative Carbonyl group Carboxamide group Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Fatty acyl Fatty amide Hydrocarbon derivative Leucine or derivatives Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylalanine or derivatives Secondary carboxylic acid amide logp 4.66 ALOGPS logs -6.43 ALOGPS solubility 2.38e-04 g/l ALOGPS logp 5.94 ChemAxon pka_strongest_acidic 11.89 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac benzyl 2-{2-[3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanamido]-3-phenylpropanamido}-4-methylpentanoate ChemAxon average_mass 645.785 ChemAxon mono_mass 645.341400873 ChemAxon smiles CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C(COCC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1 ChemAxon formula C37H47N3O7 ChemAxon inchi InChI=1S/C37H47N3O7/c1-26(2)21-31(35(43)46-24-29-19-13-8-14-20-29)39-33(41)30(22-27-15-9-6-10-16-27)38-34(42)32(40-36(44)47-37(3,4)5)25-45-23-28-17-11-7-12-18-28/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,42)(H,39,41)(H,40,44) ChemAxon inchikey QRTAICOFOHHOKD-UHFFFAOYSA-N ChemAxon polar_surface_area 132.06 ChemAxon refractivity 178.55 ChemAxon polarizability 69.92 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57201 Specdb::MsMs 57202 Specdb::MsMs 57203 Specdb::MsMs 112806 Specdb::MsMs 112807 Specdb::MsMs 112808 Specdb::MsMs 3598307 Specdb::MsMs 3598308 Specdb::MsMs 3598309 Specdb::MsMs 3598310 Specdb::MsMs 3598311 Specdb::MsMs 3598312 Black crowberry Type 1 specific Empetrum nigrum 191066