1.0 2010-04-08 22:05:15 UTC 2020-02-24 19:10:26 UTC FDB002150 Floribundine Alkaloid from Nelumbo nucifera (East India lotus). Floribundine is found in tea, cherimoya, and coffee and coffee products. (-)-N-Methylasimilobine (-)-Nornuciferine 1-Methoxy-6a-beta-aporphin-2-ol 2-Hydroxy-1-methoxyaporphine 6a-beta-Aporphin-2-ol, 1-methoxy- Asimilobine, n-methyl- Floribundine N-Methyl-asimilobine N-Methylasimilobine O-Nornuciferine C18H19NO2 281.349 281.141578857 16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol 16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol 3153-55-7 COC1=C(O)C=C2CCN(C)C3CC4=CC=CC=C4C1=C23 InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3 AKXOIHNFHOEPHN-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 Aralkylamines Azacyclic compounds Benzoquinolines Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Phenanthrenes and derivatives Tetrahydroisoquinolines Trialkylamines 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoquinoline Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenanthrene Quinoline Tertiary aliphatic amine Tertiary amine Tetrahydroisoquinoline logp 2.87 ALOGPS logs -3.22 ALOGPS solubility 1.70e-01 g/l ALOGPS melting_point Mp 195-196° logp 3.24 ChemAxon pka_strongest_acidic 7.08 ChemAxon pka_strongest_basic 10.35 ChemAxon iupac 16-methoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol ChemAxon average_mass 281.349 ChemAxon mono_mass 281.141578857 ChemAxon smiles COC1=C(O)C=C2CCN(C)C3CC4=CC=CC=C4C1=C23 ChemAxon formula C18H19NO2 ChemAxon inchi InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3 ChemAxon inchikey AKXOIHNFHOEPHN-UHFFFAOYSA-N ChemAxon polar_surface_area 32.7 ChemAxon refractivity 84.47 ChemAxon polarizability 31.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25145 Specdb::CMs 41866 Specdb::CMs 132936 Specdb::CMs 140670 Specdb::MsMs 50781 Specdb::MsMs 50782 Specdb::MsMs 50783 Specdb::MsMs 169677 Specdb::MsMs 169678 Specdb::MsMs 169679 Specdb::MsMs 2810828 Specdb::MsMs 2810829 Specdb::MsMs 2810830 Specdb::MsMs 2895523 Specdb::MsMs 2895524 Specdb::MsMs 2895525 HMDB30312 #<Reference:0x000055ce31859da0> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Cherimoya Type 1 specific Annona cherimola 49314 Coffee and coffee products Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442