1.0 2010-04-08 22:04:38 UTC 2020-02-24 19:10:10 UTC FDB000612 Didymin From leaves of Monarda didyma (bergamot) and Citrus subspecies Didymin is found in many foods, some of which are citrus, tea, sweet orange, and grapefruit. (S)-5,7-Dihydroxy-4'-methoxyflavanone 7-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] 4'-Methoxy-5,7-dihydroxyflavanone-7-O-rutinoside Didymin Isosakuranetin 7-[rhamnosyl-(1->6)-glucoside] Isosakuranetin 7-O-[a-L-rhamnopyranosyl-(1->6)-b-D-glucopyranoside] Isosakuranetin 7-O-[a-L-rhamnosyl-(1->6)-b-D-glucoside] Isosakuranetin 7-O-[rhamnosyl-(1->6)-glucoside] Isosakuranetin 7-rutinoside Neoponcirin C28H34O14 594.5612 594.194855796 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one 14259-47-3 COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3 RMCRQBAILCLJGU-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-O-methylated flavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Chromones Disaccharides Flavanones Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Disaccharide Ether Flavan Flavanone Flavonoid-7-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone Methoxybenzene Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Secondary alcohol Vinylogous acid logp -0.11 ALOGPS logs -2.47 ALOGPS solubility 2.01e+00 g/l ALOGPS melting_point Mp 211-213° logp -0.011 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 594.5612 ChemAxon mono_mass 594.194855796 ChemAxon smiles COC1=CC=C(C=C1)C1CC(=O)C2=C(O1)C=C(OC1OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C1O)C=C2O ChemAxon formula C28H34O14 ChemAxon inchi InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3 ChemAxon inchikey RMCRQBAILCLJGU-UHFFFAOYSA-N ChemAxon polar_surface_area 214.06 ChemAxon refractivity 138.79 ChemAxon polarizability 59.41 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 109678 Specdb::NmrOneD 109679 Specdb::NmrOneD 109680 Specdb::NmrOneD 109681 Specdb::NmrOneD 109682 Specdb::NmrOneD 109683 Specdb::NmrOneD 109684 Specdb::NmrOneD 109685 Specdb::NmrOneD 109686 Specdb::NmrOneD 109687 Specdb::NmrOneD 109688 Specdb::NmrOneD 109689 Specdb::NmrOneD 109690 Specdb::NmrOneD 109691 Specdb::NmrOneD 109692 Specdb::NmrOneD 109693 Specdb::NmrOneD 109694 Specdb::NmrOneD 109695 Specdb::NmrOneD 109696 Specdb::NmrOneD 109697 Specdb::CMs 24262 Specdb::CMs 41393 Specdb::CMs 283004 Specdb::CMs 443650 Specdb::CMs 443651 Specdb::CMs 443652 Specdb::CMs 443653 Specdb::CMs 443654 Specdb::CMs 443655 Specdb::CMs 443656 Specdb::CMs 443657 Specdb::CMs 443658 Specdb::CMs 443659 Specdb::CMs 443660 Specdb::CMs 443661 Specdb::CMs 443662 Specdb::CMs 443663 Specdb::CMs 443664 Specdb::CMs 443665 Specdb::CMs 443666 Specdb::CMs 443667 Specdb::CMs 443668 Specdb::CMs 443669 Specdb::CMs 443670 Specdb::CMs 443671 Specdb::MsMs 11099 Specdb::MsMs 11100 Specdb::MsMs 11101 Specdb::MsMs 17771 Specdb::MsMs 17772 Specdb::MsMs 17773 Specdb::MsMs 2240083 Specdb::MsMs 2241605 Specdb::MsMs 2244270 Specdb::MsMs 2245843 Specdb::MsMs 2246435 Specdb::MsMs 2247836 Specdb::MsMs 2248551 Specdb::MsMs 2249837 Specdb::MsMs 2250520 Specdb::MsMs 2251857 Specdb::MsMs 2252667 Specdb::MsMs 2254764 Specdb::MsMs 2255824 Specdb::MsMs 2781175 Specdb::MsMs 2781176 Specdb::MsMs 2781177 Specdb::MsMs 2924692 Specdb::MsMs 2924693 Specdb::MsMs 2924694 HMDB29482 #<Reference:0x000055ce3277d200> #<Reference:0x000055ce3277d048> Black tea Type 1 Citrus Unknown generic Grapefruit Type 1 specific Citrus X paradisi 37656 0.81 0.879999995 0.740000003 mg/100 g Grapefruit/Pummelo hybrid Type 1 specific Citrus paradisi X Citrus maxima 37656 0.0 0.0 0.0 mg/100 g Green tea Type 1 Herbal tea Type 1 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 2.08 2.079999976 2.079999976 mg/100 g Red tea Type 1 Sweet orange Type 1 specific Citrus sinensis 2711 3.248666 5.9375 2.295555592 mg/100 g Tea Type 1 specific Camellia sinensis 4442