1.0 2010-04-08 22:12:30 UTC 2019-11-26 03:13:27 UTC FDB016558 Poncirin Isolated from Citrus subspecies Poncirin is found in many foods, some of which are citrus, grapefruit, lemon, and grapefruit/pummelo hybrid. (S)-5,7-Dihydroxy-4'-methoxyflavanone 7-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] Citrifolioside Isosakuranetin 7-neohesperidoside Isosakuranetin 7-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside] Isosakuranetin 7-O-[a-L-rhamnosyl-(1->2)-b-D-glucoside] Isosakuranetin 7-O-neohesperidoside Isosakuranetin-7-neohesperidoside Isosakuranetin-7-O-beta-D-neohesperidoside Poncirin C28H34O14 594.5612 594.194855796 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one poncirin 14941-08-3 COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3 NLAWPKPYBMEWIR-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 Primary alcohols 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 Primary alcohol Secondary alcohol Vinylogous acid logp -0.13 ALOGPS logs -2.41 ALOGPS solubility 2.32e+00 g/l ALOGPS melting_point Mp 210-211° logp -0.011 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -3 ChemAxon iupac 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-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(O)C=C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C=C2O1 ChemAxon formula C28H34O14 ChemAxon inchi InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3 ChemAxon inchikey NLAWPKPYBMEWIR-UHFFFAOYSA-N ChemAxon polar_surface_area 214.06 ChemAxon refractivity 138.79 ChemAxon polarizability 59.98 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11600 Specdb::CMs 45420 Specdb::CMs 283005 Specdb::CMs 443775 Specdb::CMs 443776 Specdb::CMs 443777 Specdb::CMs 443778 Specdb::CMs 443779 Specdb::CMs 443780 Specdb::CMs 443781 Specdb::CMs 443782 Specdb::CMs 443783 Specdb::CMs 443784 Specdb::CMs 443785 Specdb::CMs 443786 Specdb::CMs 443787 Specdb::CMs 443788 Specdb::CMs 443789 Specdb::CMs 443790 Specdb::CMs 443791 Specdb::CMs 443792 Specdb::CMs 443793 Specdb::CMs 443794 Specdb::CMs 443795 Specdb::CMs 443796 Specdb::NmrOneD 141330 Specdb::NmrOneD 141331 Specdb::NmrOneD 141332 Specdb::NmrOneD 141333 Specdb::NmrOneD 141334 Specdb::NmrOneD 141335 Specdb::NmrOneD 141336 Specdb::NmrOneD 141337 Specdb::NmrOneD 141338 Specdb::NmrOneD 141339 Specdb::NmrOneD 141340 Specdb::NmrOneD 141341 Specdb::NmrOneD 141342 Specdb::NmrOneD 141343 Specdb::NmrOneD 141344 Specdb::NmrOneD 141345 Specdb::NmrOneD 141346 Specdb::NmrOneD 141347 Specdb::NmrOneD 141348 Specdb::NmrOneD 141349 Specdb::MsMs 9941 Specdb::MsMs 9942 Specdb::MsMs 9943 Specdb::MsMs 16613 Specdb::MsMs 16614 Specdb::MsMs 16615 Specdb::MsMs 2235708 Specdb::MsMs 2235920 Specdb::MsMs 2237473 Specdb::MsMs 2237685 Specdb::MsMs 2237836 Specdb::MsMs 2238055 Specdb::MsMs 2239503 Specdb::MsMs 2239715 Specdb::MsMs 2239874 Specdb::MsMs 2240225 Specdb::MsMs 2241500 Specdb::MsMs 2241859 Specdb::MsMs 2241889 Specdb::MsMs 2243950 Specdb::MsMs 2246043 Specdb::MsMs 2771117 Specdb::MsMs 2771118 Specdb::MsMs 2771119 Specdb::MsMs 2907882 HMDB37487 #<Reference:0x00007f093c1ad7d0> #<Reference:0x00007f093c1ad618> Citrus Unknown generic Grapefruit Type 1 specific Citrus X paradisi 37656 1.597667 1.952000093 1.243333319 mg/100 g Grapefruit/Pummelo hybrid Type 1 specific Citrus paradisi X Citrus maxima 37656 0.916667 0.916666667 0.916666667 mg/100 g Lemon Type 1 specific Citrus limon 2708 Sweet orange Type 1 specific Citrus sinensis 2711 0.0 0.0 0.0 mg/100 g