1.0 2010-04-08 22:12:24 UTC 2019-11-26 03:13:08 UTC FDB016371 Isorhoifolin Isolated from leaves of Citrus paradisi (grapefruit) and other plant subspecies Isorhoifolin is found in many foods, some of which are sweet orange, citrus, dill, and lemon. Apigenin 7-O-beta-rutinoside Apigenin 7-O-rutinoside Isorhoifolin C27H30O14 578.5187 578.163555668 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one 552-57-8 CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3 FKIYLTVJPDLUDL-UHFFFAOYSA-N belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone. 5-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-O-methylated flavonoids 3-methoxychromones 4'-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers Anisoles Benzene and substituted derivatives Catechols Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 3-methoxychromone 3-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-methoxyflavonoid-skeleton 7-hydroxyflavonoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Pyran Pyranone Vinylogous ester Flavones and Flavonols logp -0.00 ALOGPS logs -2.48 ALOGPS solubility 1.91e+00 g/l ALOGPS melting_point Mp 269-270° logp -0.29 ChemAxon pka_strongest_acidic 8.31 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 578.5187 ChemAxon mono_mass 578.163555668 ChemAxon smiles CC1OC(OCC2OC(OC3=CC(O)=C4C(=O)C=C(OC4=C3)C3=CC=C(O)C=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C27H30O14 ChemAxon inchi InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3 ChemAxon inchikey FKIYLTVJPDLUDL-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 135.93 ChemAxon polarizability 56.71 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21680 Specdb::CMs 45335 Specdb::MsMs 71112 Specdb::MsMs 71113 Specdb::MsMs 71114 Specdb::MsMs 129732 Specdb::MsMs 129733 Specdb::MsMs 129734 Specdb::MsMs 440245 Specdb::MsMs 440246 Specdb::MsMs 440247 Specdb::MsMs 440248 Specdb::MsMs 440249 HMDB37349 #<Reference:0x000055ce3332b6d8> Citrus Unknown generic Dill Type 1 specific Anethum graveolens 40922 German camomile Type 1 specific Matricaria recutita 127986 Lemon Type 1 specific Citrus limon 2708 Olive Type 1 specific Olea europaea 4146 1.102 1.102000016 1.102000016 mg/100 g Orange mint Type 1 specific Mentha aquatica 190902 Peppermint Type 1 specific Mentha X piperita 34256 125.045926 125.045925935 125.045925935 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711 Anti complementary 201