1.0 2010-04-08 22:08:03 UTC 2020-02-24 19:10:54 UTC FDB008368 Heliannone A Constituent of Helianthus annuus (sunflower). Heliannone A is found in sunflower and fats and oils. 2',4-Dihydroxy-3',4'-dimethoxychalcone Heliannone A C17H16O5 300.3059 300.099773622 (2E)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one heliannone A 193411-10-8 COC1=C(OC)C(O)=C(C=C1)C(=O)\C=C\C1=CC=C(O)C=C1 InChI=1S/C17H16O5/c1-21-15-10-8-13(16(20)17(15)22-2)14(19)9-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b9-5+ RURQJVCNVGERHF-WEVVVXLNSA-N belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. 2'-Hydroxychalcones Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Benzoyl derivatives Cinnamylphenols Dimethoxybenzenes Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Methoxyphenols Organic oxides Phenoxy compounds Styrenes Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2'-hydroxychalcone Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Aryl ketone Benzenoid Benzoyl Cinnamylphenol Dimethoxybenzene Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-dimethoxybenzene Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Styrene Vinylogous acid Chalcones and dihydrochalcones logp 3.44 ALOGPS logs -4.11 ALOGPS solubility 2.35e-02 g/l ALOGPS melting_point Mp 144-146° (synthetic) logp 3.62 ChemAxon pka_strongest_acidic 8.55 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2E)-1-(2-hydroxy-3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 300.3059 ChemAxon mono_mass 300.099773622 ChemAxon smiles COC1=C(OC)C(O)=C(C=C1)C(=O)\C=C\C1=CC=C(O)C=C1 ChemAxon formula C17H16O5 ChemAxon inchi InChI=1S/C17H16O5/c1-21-15-10-8-13(16(20)17(15)22-2)14(19)9-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b9-5+ ChemAxon inchikey RURQJVCNVGERHF-WEVVVXLNSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 83.77 ChemAxon polarizability 31.72 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22442 Specdb::CMs 42587 Specdb::CMs 156261 Specdb::MsMs 100779 Specdb::MsMs 100780 Specdb::MsMs 100781 Specdb::MsMs 166221 Specdb::MsMs 166222 Specdb::MsMs 166223 Specdb::MsMs 2395033 Specdb::MsMs 2395034 Specdb::MsMs 2395035 Specdb::MsMs 2540300 Specdb::MsMs 2540301 Specdb::MsMs 2540302 HMDB31705 #<Reference:0x000055ce32d34f18> Fats and oils Unknown generic Sunflower Type 1 specific Helianthus annuus 4232