1.0 2010-04-08 22:05:59 UTC 2019-11-26 02:59:38 UTC FDB003852 Dillanoside Dillanoside is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Dillanoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dillanoside can be found in dill, which makes dillanoside a potential biomarker for the consumption of this food product. C24H22O10 470.4255 470.121296924 1-hydroxy-10-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12H-5-oxatetraphen-12-one 1-hydroxy-10-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxatetraphen-12-one COC1=CC2=C(C=C1)C=CC1=C2C(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2O InChI=1S/C24H22O10/c1-31-11-4-2-10-3-5-15-18(13(10)6-11)21(28)19-14(26)7-12(8-16(19)33-15)32-24-23(30)22(29)20(27)17(9-25)34-24/h2-8,17,20,22-27,29-30H,9H2,1H3 MNMKDPGRWWQDGI-UHFFFAOYSA-N belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Isoflavones Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflav-2-enes Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Chromones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Naphthalenes Naphthopyrans O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids Xanthones 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Dibenzopyran Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Isoflavone Monosaccharide Naphthalene Naphthopyran O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid Xanthene Xanthone logp 1.47 ALOGPS logs -2.94 ALOGPS solubility 5.39e-01 g/l ALOGPS logp 1.57 ChemAxon pka_strongest_acidic 9.47 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-hydroxy-10-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-12H-5-oxatetraphen-12-one ChemAxon average_mass 470.4255 ChemAxon mono_mass 470.121296924 ChemAxon smiles COC1=CC2=C(C=C1)C=CC1=C2C(=O)C2=C(O1)C=C(OC1OC(CO)C(O)C(O)C1O)C=C2O ChemAxon formula C24H22O10 ChemAxon inchi InChI=1S/C24H22O10/c1-31-11-4-2-10-3-5-15-18(13(10)6-11)21(28)19-14(26)7-12(8-16(19)33-15)32-24-23(30)22(29)20(27)17(9-25)34-24/h2-8,17,20,22-27,29-30H,9H2,1H3 ChemAxon inchikey MNMKDPGRWWQDGI-UHFFFAOYSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 115.84 ChemAxon polarizability 46.86 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 56781 Specdb::MsMs 56782 Specdb::MsMs 56783 Specdb::MsMs 112299 Specdb::MsMs 112300 Specdb::MsMs 112301 Specdb::MsMs 3599516 Specdb::MsMs 3599517 Specdb::MsMs 3599518 Specdb::MsMs 3599519 Specdb::MsMs 3599520 Specdb::MsMs 3599521 Dill Type 1 specific Anethum graveolens 40922