1.0 2010-04-08 22:13:06 UTC 2019-11-26 03:14:54 UTC FDB017469 Romucosine H Alkaloid from Annona cherimola (cherimoya). Romucosine H is found in cherimoya and fruits. N-Methoxycarbonylnorisocorydine Romucosine H C21H23NO6 385.4104 385.152537473 methyl 3-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-10-carboxylate methyl 3-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-10-carboxylate 344928-15-0 COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC1=C3C(O)=C(OC)C=C1 InChI=1S/C21H23NO6/c1-25-14-6-5-11-9-13-16-12(7-8-22(13)21(24)28-4)10-15(26-2)20(27-3)18(16)17(11)19(14)23/h5-6,10,13,23H,7-9H2,1-4H3 JWSAYTXQWHOMHU-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-4-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-4-unsubstituted benzenoid 1-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 2.42 ALOGPS logs -3.69 ALOGPS solubility 7.87e-02 g/l ALOGPS melting_point Mp 230-233° logp 2.77 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac methyl 3-hydroxy-4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-10-carboxylate ChemAxon average_mass 385.4104 ChemAxon mono_mass 385.152537473 ChemAxon smiles COC(=O)N1CCC2=CC(OC)=C(OC)C3=C2C1CC1=C3C(O)=C(OC)C=C1 ChemAxon formula C21H23NO6 ChemAxon inchi InChI=1S/C21H23NO6/c1-25-14-6-5-11-9-13-16-12(7-8-22(13)21(24)28-4)10-15(26-2)20(27-3)18(16)17(11)19(14)23/h5-6,10,13,23H,7-9H2,1-4H3 ChemAxon inchikey JWSAYTXQWHOMHU-UHFFFAOYSA-N ChemAxon polar_surface_area 77.46 ChemAxon refractivity 103.29 ChemAxon polarizability 40.39 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26283 Specdb::CMs 45734 Specdb::CMs 170180 Specdb::MsMs 98691 Specdb::MsMs 98692 Specdb::MsMs 98693 Specdb::MsMs 163659 Specdb::MsMs 163660 Specdb::MsMs 163661 Specdb::MsMs 2791805 Specdb::MsMs 2791806 Specdb::MsMs 2791807 Specdb::MsMs 2916998 Specdb::MsMs 2916999 Specdb::MsMs 2917000 HMDB38226 #<Reference:0x00007f093c1b4df0> Cherimoya Type 1 specific Annona cherimola 49314 Fruits Unknown generic