1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:05 UTC FDB015705 Romucosine C Alkaloid from Rollinia mucosa (biriba). Romucosine C is found in alcoholic beverages and fruits. (+)-Romucosine C Romucosine C C20H21NO5 355.3844 355.141972787 methyl 4-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-10-carboxylate methyl 4-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-10-carboxylate 356048-25-4 COC(=O)N1CCC2=C3C1CC1=CC=C(O)C=C1C3=C(OC)C(OC)=C2 InChI=1S/C20H21NO5/c1-24-16-9-12-6-7-21(20(23)26-3)15-8-11-4-5-13(22)10-14(11)18(17(12)15)19(16)25-2/h4-5,9-10,15,22H,6-8H2,1-3H3 ILKYEDYPZACASH-UHFFFAOYSA-N 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 Azacyclic compounds Benzoquinolines Carbonyl compounds Hydrocarbon derivatives Methylcarbamates Naphthols and derivatives Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Phenanthrenes and derivatives Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Alkyl aryl ether Anisole Aporphine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Carbamic acid ester Carbonic acid derivative Carbonyl group Ether Hydrocarbon derivative Methylcarbamate Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quinoline Tetrahydroisoquinoline logp 2.83 ALOGPS logs -3.64 ALOGPS solubility 8.09e-02 g/l ALOGPS logp 2.93 ChemAxon pka_strongest_acidic 9.23 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac methyl 4-hydroxy-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaene-10-carboxylate ChemAxon average_mass 355.3844 ChemAxon mono_mass 355.141972787 ChemAxon smiles COC(=O)N1CCC2=C3C1CC1=CC=C(O)C=C1C3=C(OC)C(OC)=C2 ChemAxon formula C20H21NO5 ChemAxon inchi InChI=1S/C20H21NO5/c1-24-16-9-12-6-7-21(20(23)26-3)15-8-11-4-5-13(22)10-14(11)18(17(12)15)19(16)25-2/h4-5,9-10,15,22H,6-8H2,1-3H3 ChemAxon inchikey ILKYEDYPZACASH-UHFFFAOYSA-N ChemAxon polar_surface_area 68.23 ChemAxon refractivity 96.83 ChemAxon polarizability 38.16 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18569 Specdb::CMs 45026 Specdb::CMs 133779 Specdb::CMs 141513 Specdb::MsMs 69372 Specdb::MsMs 69373 Specdb::MsMs 69374 Specdb::MsMs 127635 Specdb::MsMs 127636 Specdb::MsMs 127637 Specdb::MsMs 3057616 Specdb::MsMs 3057617 Specdb::MsMs 3057618 Specdb::MsMs 3112298 Specdb::MsMs 3112299 Specdb::MsMs 3112300 HMDB36764 #<Reference:0x000055ce31c78b70> Alcoholic beverages Unknown generic Fruits Unknown generic