1.0 2010-04-08 22:04:40 UTC 2020-02-24 19:10:12 UTC FDB000683 Nobiletin Isolated from peel of king orange (Citrus nobilis), seville orange (Citrus aurantium) and other Citrus subspecies, and the round kumquat (Fortunella japonica). Nobiletin is found in many foods, some of which are sweet bay, citrus, lemon, and grapefruit. 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one, 9CI 5,6,7,8,3',4'-Hexamethoxyflavone Flavone, 5,6,7,8,3',4'-hexamethoxy Hexamethoxyflavone Nobiletin C21H22O8 402.3946 402.13146768 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one nobiletin 478-01-3 COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3 MRIAQLRQZPPODS-UHFFFAOYSA-N belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 8-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 3'-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 6-O-methylated flavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Chromones Dimethoxybenzenes Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 3p-methoxyflavonoid-skeleton 4p-methoxyflavonoid-skeleton 5-methoxyflavonoid-skeleton 6-methoxyflavonoid-skeleton 7-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dimethoxybenzene Ether Flavone Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous ester Flavones and Flavonols flavones methoxyflavone logp 2.62 ALOGPS logs -4.64 ALOGPS solubility 9.20e-03 g/l ALOGPS melting_point Mp 134° logp 2.02 ChemAxon pka_strongest_acidic 15.13 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one ChemAxon average_mass 402.3946 ChemAxon mono_mass 402.13146768 ChemAxon smiles COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(O1)C(OC)=C(OC)C(OC)=C2OC ChemAxon formula C21H22O8 ChemAxon inchi InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3 ChemAxon inchikey MRIAQLRQZPPODS-UHFFFAOYSA-N ChemAxon polar_surface_area 81.68 ChemAxon refractivity 105.75 ChemAxon polarizability 41.79 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11710 Specdb::CMs 131775 Specdb::CMs 139509 Specdb::MsMs 13046 Specdb::MsMs 13047 Specdb::MsMs 13048 Specdb::MsMs 19718 Specdb::MsMs 19719 Specdb::MsMs 19720 Specdb::MsMs 374382 Specdb::MsMs 374830 Specdb::MsMs 439895 Specdb::MsMs 450127 Specdb::MsMs 450128 Specdb::MsMs 450129 Specdb::MsMs 450130 Specdb::MsMs 450131 Specdb::MsMs 450132 Specdb::MsMs 450133 Specdb::MsMs 450134 Specdb::MsMs 450135 Specdb::MsMs 450958 Specdb::MsMs 450959 Specdb::MsMs 451530 Specdb::MsMs 2244590 Specdb::MsMs 2245506 Specdb::MsMs 2246739 Specdb::MsMs 2247567 HMDB29540 #<Reference:0x000055ac40e369c0> #<Reference:0x000055ac40e36790> #<Reference:0x000055ac40e365d8> #<Reference:0x000055ac40e361f0> Citrus Unknown generic Grapefruit Type 1 specific Citrus X paradisi 37656 0.0 0.0 0.0 mg/100 g Lemon Type 1 specific Citrus limon 2708 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 0.0 0.0 0.0 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 Sweet orange Type 1 specific Citrus sinensis 2711 0.241068 0.367419362 0.075142856 mg/100 g bitter anti allergic 103 A drug used to treat allergic reactions. anti histaminic 331 Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. anti proliferative 548 cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. cholinergic 804 Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons. fungicide 940 A substance used to destroy fungal pests. fungistat 942 pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.