1.0 2010-04-08 22:09:37 UTC 2019-11-26 03:04:52 UTC FDB011387 Cryptodorine Alkaloid from the leaves of Laurus nobilis (bay laurel). Cryptodorine is found in tea, sweet bay, and herbs and spices. 1,2:9,10-Bismethylenedioxynoraporphine Cryptodorine Norneolitsine C18H15NO4 309.316 309.100107973 5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene 5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene 41787-55-7 C1OC2=C(O1)C=C1C(CC3NCCC4=CC5=C(OCO5)C1=C34)=C2 InChI=1S/C18H15NO4/c1-2-19-12-3-10-5-13-14(21-7-20-13)6-11(10)17-16(12)9(1)4-15-18(17)23-8-22-15/h4-6,12,19H,1-3,7-8H2 OMIDMWVBRZAVMK-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 Acetals Aralkylamines Azacyclic compounds Benzodioxoles Benzoquinolines Dialkylamines Hydrocarbon derivatives Naphthalenes Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Tetrahydroisoquinolines Acetal Amine Aporphine Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Benzoquinoline 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 1.97 ALOGPS logs -3.34 ALOGPS solubility 1.42e-01 g/l ALOGPS melting_point Mp 219-221° (sulfate) logp 2.56 ChemAxon pka_strongest_basic 9.43 ChemAxon iupac 5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2,4(8),9,16,18(22)-hexaene ChemAxon average_mass 309.316 ChemAxon mono_mass 309.100107973 ChemAxon smiles C1OC2=C(O1)C=C1C(CC3NCCC4=CC5=C(OCO5)C1=C34)=C2 ChemAxon formula C18H15NO4 ChemAxon inchi InChI=1S/C18H15NO4/c1-2-19-12-3-10-5-13-14(21-7-20-13)6-11(10)17-16(12)9(1)4-15-18(17)23-8-22-15/h4-6,12,19H,1-3,7-8H2 ChemAxon inchikey OMIDMWVBRZAVMK-UHFFFAOYSA-N ChemAxon polar_surface_area 48.95 ChemAxon refractivity 82.27 ChemAxon polarizability 32.71 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20134 Specdb::CMs 136225 Specdb::CMs 143959 Specdb::MsMs 10967 Specdb::MsMs 10968 Specdb::MsMs 10969 Specdb::MsMs 17639 Specdb::MsMs 17640 Specdb::MsMs 17641 Specdb::MsMs 2840415 Specdb::MsMs 2840416 Specdb::MsMs 2840417 Specdb::MsMs 2864652 Specdb::MsMs 2864653 Specdb::MsMs 2864654 HMDB33359 #<Reference:0x000055ce31da0070> 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