1.0 2016-09-30 23:18:41 UTC 2020-04-22 15:16:22 UTC BMDB0005798 BMDB05798 Malabaricone C Malabaricone C C21H26O5 358.4281 358.178023942 1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one malabaricone C 63335-25-1 OC1=CC=CC(O)=C1C(=O)CCCCCCCCC1=CC(O)=C(O)C=C1 InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2 HCOZRFYGIFMIEX-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Alkyl-phenylketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl alkyl ketones Benzoyl derivatives Butyrophenones Catechols Hydrocarbon derivatives Organic oxides Resorcinols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Butyrophenone Catechol Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Phenol Resorcinol Vinylogous acid Aromatic homomonocyclic compounds butanone Solid melting_point 119 - 121 °C logp 4.15 ALOGPS logs -4.38 ALOGPS logp 6.56 ChemAxon pka_strongest_acidic 9.38 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one ChemAxon average_mass 358.4281 ChemAxon mono_mass 358.178023942 ChemAxon smiles OC1=CC=CC(O)=C1C(=O)CCCCCCCCC1=CC(O)=C(O)C=C1 ChemAxon formula C21H26O5 ChemAxon inchi InChI=1S/C21H26O5/c22-16-13-12-15(14-20(16)26)8-5-3-1-2-4-6-9-17(23)21-18(24)10-7-11-19(21)25/h7,10-14,22,24-26H,1-6,8-9H2 ChemAxon inchikey HCOZRFYGIFMIEX-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 101.31 ChemAxon polarizability 40.2 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 14451 Specdb::CMs 38893 Specdb::CMs 145996 Specdb::MsMs 297898 Specdb::MsMs 297899 Specdb::MsMs 297900 Specdb::MsMs 339544 Specdb::MsMs 339545 Specdb::MsMs 339546 Specdb::MsMs 2320592 Specdb::MsMs 2320593 Specdb::MsMs 2320594 Specdb::MsMs 2618900 Specdb::MsMs 2618901 Specdb::MsMs 2618902 FDB023771 90651 C00037468 584521 100313 Hosoi S; Kiuchi F; Nakamura N; Imasho M; Ali M A; Sasaki Y; Tanaka E; Tsumamoto Y; Kondo K; Tsuda Y Synthesis and nematocidal activity of diarylnonanoids related to malabaricones. Chemical & pharmaceutical bulletin (1999), 47(1), 37-43.