1.0 2010-04-08 22:15:30 UTC 2019-11-26 03:19:56 UTC FDB021139 2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one Constituent of the fruits of tangerine (Citrus reticulata cv. blanco). 2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one is found in citrus. 2-(4-Hydroxyphenyl)-3,6-dimethoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone C22H20O6 380.3906 380.125988372 2-(4-hydroxyphenyl)-3,5-dimethoxy-8,8-dimethyl-4H,8H-pyrano[2,3-h]chromen-4-one 2-(4-hydroxyphenyl)-3,5-dimethoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one 157072-30-5 COC1=C2C(=O)C(OC)=C(OC2=C2C=CC(C)(C)OC2=C1)C1=CC=C(O)C=C1 InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16(25-3)17-18(24)21(26-4)19(27-20(14)17)12-5-7-13(23)8-6-12/h5-11,23H,1-4H3 VNNMTQJSNKAONW-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranoflavonoids. Pyranoflavonoids are compounds containing a pyran ring fused to a 2-phenyl-1,4-benzopyran skeleton. Pyranoflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Pyranoflavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans 3-O-methylated flavonoids 3-methoxychromones 4'-hydroxyflavonoids 5-O-methylated flavonoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Flavones Heteroaromatic compounds Hydrocarbon derivatives Monohydroxyflavonoids Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 3-methoxychromone 3-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monohydroxyflavonoid Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranochromene Pyranoflavonoid Pyranone Vinylogous ester logp 4.36 ALOGPS logs -4.86 ALOGPS solubility 5.27e-03 g/l ALOGPS melting_point Mp 225-226° logp 3.27 ChemAxon pka_strongest_acidic 8.55 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 2-(4-hydroxyphenyl)-3,5-dimethoxy-8,8-dimethyl-4H,8H-pyrano[2,3-h]chromen-4-one ChemAxon average_mass 380.3906 ChemAxon mono_mass 380.125988372 ChemAxon smiles COC1=C2C(=O)C(OC)=C(OC2=C2C=CC(C)(C)OC2=C1)C1=CC=C(O)C=C1 ChemAxon formula C22H20O6 ChemAxon inchi InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16(25-3)17-18(24)21(26-4)19(27-20(14)17)12-5-7-13(23)8-6-12/h5-11,23H,1-4H3 ChemAxon inchikey VNNMTQJSNKAONW-UHFFFAOYSA-N ChemAxon polar_surface_area 74.22 ChemAxon refractivity 106.53 ChemAxon polarizability 40.28 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12608 Specdb::CMs 47197 Specdb::CMs 148739 Specdb::MsMs 293752 Specdb::MsMs 293753 Specdb::MsMs 293754 Specdb::MsMs 334300 Specdb::MsMs 334301 Specdb::MsMs 334302 Specdb::MsMs 2436838 Specdb::MsMs 2436839 Specdb::MsMs 2436840 Specdb::MsMs 2528814 Specdb::MsMs 2528815 Specdb::MsMs 2528816 HMDB41236 #<Reference:0x000055ce32db1cc0> Citrus Unknown generic Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571