1.0 2010-04-08 22:14:53 UTC 2019-11-26 03:18:39 UTC FDB020228 Agamanone Isolated from the famine food Agave americana. Agamanone is found in green vegetables. 5,7-Dihydroxy-3',6-dimethoxy-4',5'-methylenedioxyflavanone Agamanone C18H16O8 360.3148 360.084517488 5,7-dihydroxy-6-methoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-4-one agamanone 143381-59-3 COC1=C2OCOC2=CC(=C1)C1CC(=O)C2=C(O1)C=C(O)C(OC)=C2O InChI=1S/C18H16O8/c1-22-13-3-8(4-14-18(13)25-7-24-14)11-5-9(19)15-12(26-11)6-10(20)17(23-2)16(15)21/h3-4,6,11,20-21H,5,7H2,1-2H3 OPMVFPLFBRWXER-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. 6-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'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzodioxoles Chromones Flavanones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 6-methoxyflavonoid-skeleton 7-hydroxyflavonoid Acetal Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzodioxole Benzopyran Chromane Chromone Ether Flavan Flavanone Hydrocarbon derivative Hydroxyflavonoid Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Vinylogous acid Flavanones logp 1.98 ALOGPS logs -3.14 ALOGPS solubility 2.59e-01 g/l ALOGPS melting_point Mp 237° logp 2.45 ChemAxon pka_strongest_acidic 8.44 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-6-methoxy-2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 360.3148 ChemAxon mono_mass 360.084517488 ChemAxon smiles COC1=C2OCOC2=CC(=C1)C1CC(=O)C2=C(O1)C=C(O)C(OC)=C2O ChemAxon formula C18H16O8 ChemAxon inchi InChI=1S/C18H16O8/c1-22-13-3-8(4-14-18(13)25-7-24-14)11-5-9(19)15-12(26-11)6-10(20)17(23-2)16(15)21/h3-4,6,11,20-21H,5,7H2,1-2H3 ChemAxon inchikey OPMVFPLFBRWXER-UHFFFAOYSA-N ChemAxon polar_surface_area 103.68 ChemAxon refractivity 88 ChemAxon polarizability 35.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 311653 Specdb::MsMs 311654 Specdb::MsMs 311655 Specdb::MsMs 356710 Specdb::MsMs 356711 Specdb::MsMs 356712 Specdb::MsMs 3002749 Specdb::MsMs 3002750 Specdb::MsMs 3002751 Specdb::CMs 20504 Specdb::CMs 46785 Specdb::CMs 133449 Specdb::CMs 141183 HMDB40472 #<Reference:0x000055ce33105a20> Green vegetables Unknown generic