1.0 2010-04-08 22:10:53 UTC 2019-11-26 03:09:01 UTC FDB013764 Citrunobin Constituent of Citrus sinensis (orange) and Citrus nobilis (King orange). Citrunobin is found in sweet orange and citrus. C21H20O5 352.3805 352.13107375 (2E)-1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one citrunobin 126026-23-1 COC1=C2C=CC(C)(C)OC2=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1 InChI=1S/C21H20O5/c1-21(2)11-10-15-18(25-3)12-17(24)19(20(15)26-21)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+ RPGWAGOTDRYEAD-RMKNXTFCSA-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 heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2,2-dimethyl-1-benzopyrans Acryloyl compounds Alkyl aryl ethers Anisoles Aryl ketones Enones Hydrocarbon derivatives Hydroxycinnamic acids and derivatives Organic oxides Oxacyclic compounds Styrenes Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 2'-hydroxychalcone 2,2-dimethyl-1-benzopyran Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic heteropolycyclic compound Aryl ketone Benzenoid Benzopyran Enone Ether Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Styrene Vinylogous acid Chalcones and dihydrochalcones logp 4.13 ALOGPS logs -4.74 ALOGPS solubility 6.46e-03 g/l ALOGPS melting_point Mp 182-184° logp 4.68 ChemAxon pka_strongest_acidic 8.31 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2E)-1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one ChemAxon average_mass 352.3805 ChemAxon mono_mass 352.13107375 ChemAxon smiles COC1=C2C=CC(C)(C)OC2=C(C(=O)\C=C\C2=CC=C(O)C=C2)C(O)=C1 ChemAxon formula C21H20O5 ChemAxon inchi InChI=1S/C21H20O5/c1-21(2)11-10-15-18(25-3)12-17(24)19(20(15)26-21)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+ ChemAxon inchikey RPGWAGOTDRYEAD-RMKNXTFCSA-N ChemAxon polar_surface_area 75.99 ChemAxon refractivity 101.7 ChemAxon polarizability 37.71 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21147 Specdb::CMs 44208 Specdb::CMs 152022 Specdb::MsMs 51585 Specdb::MsMs 51586 Specdb::MsMs 51587 Specdb::MsMs 162045 Specdb::MsMs 162046 Specdb::MsMs 162047 Specdb::MsMs 2278970 Specdb::MsMs 2278971 Specdb::MsMs 2278972 Specdb::MsMs 3089818 Specdb::MsMs 3089819 Specdb::MsMs 3089820 HMDB35129 #<Reference:0x000055ce2ec39c98> Citrus Unknown generic Sweet orange Type 1 specific Citrus sinensis 2711