1.0 2010-04-08 22:12:32 UTC 2019-11-26 03:13:31 UTC FDB016622 Margaritene Isolated from Fortunella margarita (oval kumquat) and Fortunella japonica (round kumquat). Margaritene is found in fruits. Margaritene C28H32O14 592.5453 592.179205732 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one 64271-10-9 COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3 AOXGLIJSZLOQNZ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid 8-c-glycosides. Flavonoid 8-C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. Flavonoid 8-C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles C-glycosyl compounds Chromones Dialkyl ethers Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Chromone Dialkyl ether Disaccharide Ether Flavone Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid 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 Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.01 ALOGPS logs -2.32 ALOGPS solubility 2.86e+00 g/l ALOGPS melting_point Mp 192-193° logp -0.63 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 592.5453 ChemAxon mono_mass 592.179205732 ChemAxon smiles COC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C(C1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)=C(O)C=C2O ChemAxon formula C28H32O14 ChemAxon inchi InChI=1S/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3 ChemAxon inchikey AOXGLIJSZLOQNZ-UHFFFAOYSA-N ChemAxon polar_surface_area 225.06 ChemAxon refractivity 141.38 ChemAxon polarizability 57.82 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 70767 Specdb::MsMs 70768 Specdb::MsMs 70769 Specdb::MsMs 129324 Specdb::MsMs 129325 Specdb::MsMs 129326 Specdb::MsMs 440552 Specdb::MsMs 452135 Specdb::MsMs 452136 Specdb::MsMs 2742112 Specdb::MsMs 2742113 Specdb::MsMs 2742114 Specdb::MsMs 2939363 Specdb::MsMs 2939364 Specdb::MsMs 2939365 Specdb::NmrOneD 141570 Specdb::NmrOneD 141571 Specdb::NmrOneD 141572 Specdb::NmrOneD 141573 Specdb::NmrOneD 141574 Specdb::NmrOneD 141575 Specdb::NmrOneD 141576 Specdb::NmrOneD 141577 Specdb::NmrOneD 141578 Specdb::NmrOneD 141579 Specdb::NmrOneD 141580 Specdb::NmrOneD 141581 Specdb::NmrOneD 141582 Specdb::NmrOneD 141583 Specdb::NmrOneD 141584 Specdb::NmrOneD 141585 Specdb::NmrOneD 141586 Specdb::NmrOneD 141587 Specdb::NmrOneD 141588 Specdb::NmrOneD 141589 Specdb::CMs 13174 Specdb::CMs 45450 Specdb::CMs 282908 Specdb::CMs 423534 Specdb::CMs 423535 Specdb::CMs 423536 Specdb::CMs 423537 Specdb::CMs 423538 Specdb::CMs 423539 Specdb::CMs 423540 Specdb::CMs 423541 Specdb::CMs 423542 Specdb::CMs 423543 Specdb::CMs 423544 Specdb::CMs 423545 Specdb::CMs 423546 Specdb::CMs 423547 Specdb::CMs 423548 Specdb::CMs 423549 Specdb::CMs 423550 Specdb::CMs 423551 Specdb::CMs 423552 Specdb::CMs 423553 Specdb::CMs 423554 Specdb::CMs 423555 HMDB37540 #<Reference:0x000055ce315b1ee0> Fruits Unknown generic