1.0 2010-04-08 22:12:27 UTC 2019-11-26 03:13:18 UTC FDB016472 Citrusinol Isolated from root bark of king orange (Citrus nobilis). Citrusinol is found in citrus. 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI C20H16O6 352.3374 352.094688244 3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one citrusinol 112516-43-5 CC1(C)OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2C=C1)C1=CC=C(O)C=C1 InChI=1S/C20H16O6/c1-20(2)8-7-12-14(26-20)9-13(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3 OKQQXHUICMLKQI-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-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Alkyl aryl ethers Benzene and substituted derivatives Chromones Flavonols Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranochromenes Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2,2-dimethyl-1-benzopyran 3-hydroxyflavone 3-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranochromene Pyranoflavonoid Pyranone Vinylogous acid Flavones and Flavonols logp 3.48 ALOGPS logs -4.15 ALOGPS solubility 2.50e-02 g/l ALOGPS melting_point Mp 252-254° logp 3.66 ChemAxon pka_strongest_acidic 8.18 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one ChemAxon average_mass 352.3374 ChemAxon mono_mass 352.094688244 ChemAxon smiles CC1(C)OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2C=C1)C1=CC=C(O)C=C1 ChemAxon formula C20H16O6 ChemAxon inchi InChI=1S/C20H16O6/c1-20(2)8-7-12-14(26-20)9-13(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3 ChemAxon inchikey OKQQXHUICMLKQI-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 97.29 ChemAxon polarizability 36.28 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17839 Specdb::CMs 45380 Specdb::CMs 130837 Specdb::CMs 138571 Specdb::MsMs 101529 Specdb::MsMs 101530 Specdb::MsMs 101531 Specdb::MsMs 167169 Specdb::MsMs 167170 Specdb::MsMs 167171 Specdb::MsMs 2406920 Specdb::MsMs 2406921 Specdb::MsMs 2406922 Specdb::MsMs 2532225 Specdb::MsMs 2532226 Specdb::MsMs 2532227 HMDB37424 #<Reference:0x000055ce321cda58> Citrus Unknown generic