1.0 2010-04-08 22:13:26 UTC 2019-11-26 03:15:31 UTC FDB017989 Narceinone Alkaloid from unlanced dried capsules of Papaver somniferum (opium poppy). Narceinone is found in opium poppy. Narceinone C23H25NO9 459.4459 459.152931403 6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}-2-oxoacetyl)-2,3-dimethoxybenzoic acid 6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}-2-oxoacetyl)-2,3-dimethoxybenzoic acid 125187-48-6 COC1=C(OC)C(C(O)=O)=C(C=C1)C(=O)C(=O)C1=C(OC)C2=C(OCO2)C=C1CCN(C)C InChI=1S/C23H25NO9/c1-24(2)9-8-12-10-15-21(33-11-32-15)22(31-5)16(12)19(26)18(25)13-6-7-14(29-3)20(30-4)17(13)23(27)28/h6-7,10H,8-9,11H2,1-5H3,(H,27,28) HXFMRYFLZVSZMP-UHFFFAOYSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic compounds Phenylpropanoids and polyketides Stilbenes Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Alpha-diketones Amino acids Anisoles Aralkylamines Aryl ketones Benzodioxoles Benzoic acids Benzoyl derivatives Carboxylic acids Dimethoxybenzenes Hydrocarbon derivatives M-methoxybenzoic acids and derivatives Monocarboxylic acids and derivatives O-methoxybenzoic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Phenethylamines Phenoxy compounds Trialkylamines Acetal Alkyl aryl ether Alpha-diketone Amine Amino acid Amino acid or derivatives Anisole Aralkylamine Aromatic heteropolycyclic compound Aryl ketone Benzenoid Benzodioxole Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Dimethoxybenzene Ether Hydrocarbon derivative Ketone M-methoxybenzoic acid or derivatives Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety O-dimethoxybenzene O-methoxybenzoic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenethylamine Phenol ether Phenoxy compound Stilbene Tertiary aliphatic amine Tertiary amine logp 1.99 ALOGPS logs -3.53 ALOGPS solubility 1.36e-01 g/l ALOGPS melting_point Mp 162° logp -0.44 ChemAxon pka_strongest_acidic 3.33 ChemAxon pka_strongest_basic 7.4 ChemAxon iupac 6-(2-{6-[2-(dimethylamino)ethyl]-4-methoxy-2H-1,3-benzodioxol-5-yl}-2-oxoacetyl)-2,3-dimethoxybenzoic acid ChemAxon average_mass 459.4459 ChemAxon mono_mass 459.152931403 ChemAxon smiles COC1=C(OC)C(C(O)=O)=C(C=C1)C(=O)C(=O)C1=C(OC)C2=C(OCO2)C=C1CCN(C)C ChemAxon formula C23H25NO9 ChemAxon inchi InChI=1S/C23H25NO9/c1-24(2)9-8-12-10-15-21(33-11-32-15)22(31-5)16(12)19(26)18(25)13-6-7-14(29-3)20(30-4)17(13)23(27)28/h6-7,10H,8-9,11H2,1-5H3,(H,27,28) ChemAxon inchikey HXFMRYFLZVSZMP-UHFFFAOYSA-N ChemAxon polar_surface_area 120.83 ChemAxon refractivity 117.78 ChemAxon polarizability 45.54 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 10 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98514 Specdb::MsMs 98515 Specdb::MsMs 98516 Specdb::MsMs 163452 Specdb::MsMs 163453 Specdb::MsMs 163454 Specdb::MsMs 3041320 Specdb::MsMs 3041321 Specdb::MsMs 3041322 Specdb::MsMs 3102548 Specdb::MsMs 3102549 Specdb::MsMs 3102550 Specdb::CMs 12426 Specdb::CMs 45934 Specdb::CMs 161045 Specdb::NmrOneD 27402 Specdb::NmrOneD 27403 Specdb::NmrOneD 27404 Specdb::NmrOneD 27405 Specdb::NmrOneD 27406 Specdb::NmrOneD 27407 Specdb::NmrOneD 27408 Specdb::NmrOneD 27409 Specdb::NmrOneD 27410 Specdb::NmrOneD 27411 Specdb::NmrOneD 27412 Specdb::NmrOneD 27413 Specdb::NmrOneD 27414 Specdb::NmrOneD 27415 Specdb::NmrOneD 27416 Specdb::NmrOneD 27417 Specdb::NmrOneD 27418 Specdb::NmrOneD 27419 Specdb::NmrOneD 27420 Specdb::NmrOneD 27421 HMDB38598 #<Reference:0x000055ce31d43320> Opium poppy Type 1 specific Papaver somniferum 3469