1.0 2010-04-08 22:09:37 UTC 2019-11-26 03:04:53 UTC FDB011390 (S)-Nandigerine Alkaloid from Laurus nobilis (bay laurel). (S)-Nandigerine is found in tea, sweet bay, and herbs and spices. (+)-Nandigerine Hernangerine Nandigerine C18H17NO4 311.3319 311.115758037 18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol 18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol 31520-97-5 COC1=C(O)C=CC2=C1C1=C3C(C2)NCCC3=CC2=C1OCO2 InChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3 CFUKKPQRQGCLAT-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 Acetals Alkyl aryl ethers Anisoles Aralkylamines Azacyclic compounds Benzodioxoles Benzoquinolines Dialkylamines Hydrocarbon derivatives Naphthols and derivatives Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoid 2-naphthol Acetal Alkyl aryl ether Amine Anisole Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Benzoquinoline Ether Hydrocarbon derivative Naphthalene Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Quinoline Secondary aliphatic amine Secondary amine Tetrahydroisoquinoline logp 1.49 ALOGPS logs -3.24 ALOGPS solubility 1.78e-01 g/l ALOGPS melting_point Mp 176-177° logp 2.09 ChemAxon pka_strongest_acidic 10.17 ChemAxon pka_strongest_basic 9.36 ChemAxon iupac 18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol ChemAxon average_mass 311.3319 ChemAxon mono_mass 311.115758037 ChemAxon smiles COC1=C(O)C=CC2=C1C1=C3C(C2)NCCC3=CC2=C1OCO2 ChemAxon formula C18H17NO4 ChemAxon inchi InChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3 ChemAxon inchikey CFUKKPQRQGCLAT-UHFFFAOYSA-N ChemAxon polar_surface_area 59.95 ChemAxon refractivity 84.94 ChemAxon polarizability 32.58 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24506 Specdb::CMs 43264 Specdb::CMs 153768 Specdb::MsMs 60747 Specdb::MsMs 60748 Specdb::MsMs 60749 Specdb::MsMs 117138 Specdb::MsMs 117139 Specdb::MsMs 117140 Specdb::MsMs 2302389 Specdb::MsMs 2302390 Specdb::MsMs 2302391 Specdb::MsMs 3066305 Specdb::MsMs 3066306 Specdb::MsMs 3066307 HMDB33362 #<Reference:0x000055ce321ebb70> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Sweet bay Type 1 specific Laurus nobilis 85223 Tea Type 1 specific Camellia sinensis 4442