1.0 2011-09-21 00:34:30 UTC 2015-07-21 06:57:51 UTC FDB023771 Malabaricone C Malabaricone C is an antimicrobial resorcinol found in nutmeg, the dried seed covers of Myristica fragrans and Myristica malabarica (rampatri). This Compound exhibits strong antifungal and antibacterial activity. (PMID 1955885, 10501006) Malabaricone C a diarylnonanoid, shows strong scavenging activity. (PMID 16104820) [HMDB] 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. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds 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 butanone Solid logp 4.15 ALOGPS logs -4.38 ALOGPS solubility 1.51e-02 g/l 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 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 HMDB05798 #<Reference:0x000055ce326488f8> #<Reference:0x000055ce32648740> #<Reference:0x000055ce32648588>